| 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 | SRS BEAMLINE PX14.1 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | SRS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | PX14.1 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2007-01-01 |
Detector _diffrn_detector.type | ADSC QUANTUM 4r |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.488 |
| Software | |
Data collection _software.classification | ADSC (Quantum) |
Data reduction _software.classification | MOSFLM |
Data scaling _software.classification | SCALA |
Model building _software.classification | FFT |
Refinement _software.classification | CNS |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | C 1 2 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 313.146 302.121 183.385 90.00 93.82 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.48800 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 140.000 |
High resolution limit [Å] _reflns.d_resolution_high | 6.000 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.128 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 24647 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 11.80 |
Completeness [%] _reflns.percent_possible_obs | 99.0 |
Multiplicity _reflns.pdbx_redundancy | 3.9 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 3S4G |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2011-05-19 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 95.8 - 6.000 Å |
R _refine.ls_R_factor_obs | 0.3800 WARNING: no Rwork given |
Rfree _refine.ls_R_factor_R_free | 0.4300 |
Structure solution method _refine.pdbx_method_to_determine_struct | FOURIER SYNTHESIS |