| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE WAVELENGTH |
Source type _diffrn_source.source | SYNCHROTRON |
Source details _diffrn_source.type | NSLS BEAMLINE X25 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | NSLS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | X25 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2009-06-03 |
Detector _diffrn_detector.type | ADSC QUANTUM 315 |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.1051 |
| Software | |
Data reduction _software.classification | DENZO |
Data scaling #1 _software.classification | SCALA (3.3.12; 2009/01/20; Phil R. Evans; pre@mrc-lmb.cam.ac.uk) |
Data scaling #2 _software.classification | SCALEPACK |
Phasing #1 _software.classification | PHASER (Randy J. Read; cimr-phaser@lists.cam.ac.uk) |
Phasing #2 _software.classification | RESOLVE (2.14; 14-Jan-2009; Thomas C. Terwilliger; terwilliger@lanl.gov) |
Refinement _software.classification | REFMAC (refmac_5.5.0102; 24/04/2001; Garib N. Murshudov; garib@ysbl.york.ac.uk) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | H 3 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 105.36 105.36 107.78 90.0 90.0 120.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.10510 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 29.059 | 29.680 | 2.940 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.775 | 8.830 | 2.775 |
Rmerge _reflns.pdbx_Rsym_value _reflns_shell.Rmerge_I_obs | 0.123 | 0.010 | 0.010 |
| Rmeas | - | - | - |
| Rpim | - | - | - |
Total number of observations _reflns_shell.number_measured_all | - | 1048 | 4868 |
Total number unique _reflns.number_obs _reflns_shell.number_unique_all | 5854 | 195 | 852 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 4.06 | 11.00 | 0.70 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 99.8 | 94.9 | 99.9 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 5.6 | 5.4 | 5.7 |
| CC(1/2) | - | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 3NPN |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2010-06-28 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 29.1 - 2.792 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2520 / 0.2920 |
Structure solution method _refine.pdbx_method_to_determine_struct | SAD |