| 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 X12C |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | NSLS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | X12C |
Temperature [K] _diffrn.ambient_temp | 123.2 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2009-11-11 |
Detector _diffrn_detector.type | MAR CCD 165 mm |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.0988 |
| Software | |
Data collection _software.classification | HKL-2000 |
Data reduction _software.classification | HKL-2000 |
Phasing _software.classification | MOLREP (in the CCP4 Package) |
Refinement #1 _software.classification | SHELXL-97 |
Refinement #2 _software.classification | X-PLOR |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 43 21 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 78.584 78.584 37.121 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.09880 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 50.000 |
High resolution limit [Å] _reflns.d_resolution_high | 1.600 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.157 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 15391 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 29.10 |
Completeness [%] _reflns.percent_possible_obs | 97.5 |
Multiplicity _reflns.pdbx_redundancy | 25.7 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 3P4Z |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2010-10-07 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 10.0 - 1.600 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1933 / 0.2358 |
Structure solution method _refine.pdbx_method_to_determine_struct | AB INITIO |