| 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 | ESRF BEAMLINE ID23-2 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | ESRF |
Beamline _diffrn_source.pdbx_synchrotron_beamline | ID23-2 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2009-10-10 |
Detector _diffrn_detector.type | MARMOSAIC 225 mm CCD |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.87260 |
| Software | |
Data collection _software.classification | MAR345dtb |
Data processing _software.classification | XSCALE (Wolfgang Kabsch) |
Data reduction _software.classification | XDS |
Data scaling _software.classification | XSCALE |
Phasing _software.classification | CNS |
Refinement _software.classification | PHENIX (1.6.1_357; Paul D. Adams; PDAdams@lbl.gov) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 1 21 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 73.262 225.895 163.984 90.00 100.75 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.87260 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 39.046 |
High resolution limit [Å] _reflns.d_resolution_high | 2.900 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.143 |
Rmeas _reflns.pdbx_Rrim_I_all | 0.162 |
| Rpim | - |
Total number of observations _reflns.pdbx_number_measured_all | 465206 |
Total number unique _reflns.number_obs | 110353 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 8.97 |
Completeness [%] _reflns.percent_possible_obs | 95.4 |
| Multiplicity | - |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 3NC0 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2010-06-04 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 39.0 - 2.900 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2421 / 0.2947 |
Structure solution method _refine.pdbx_method_to_determine_struct | FOURIER SYNTHESIS |
Starting model _refine.pdbx_starting_model | 3GJX |