| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE WAVELENGTH |
Source type _diffrn_source.source | ROTATING ANODE |
Source details _diffrn_source.type | RIGAKU RU200 |
Temperature [K] _diffrn.ambient_temp | 93.0 |
Detector technology _diffrn_detector.detector | AREA DETECTOR |
Collection date _diffrn_detector.pdbx_collection_date | 2001-02-23 |
Detector _diffrn_detector.type | SIEMENS HI-STAR |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.5418 |
| Software | |
Data reduction #1 _software.classification | FBSCALE |
Data reduction #2 _software.classification | X-GEN |
Data scaling #1 _software.classification | X-GEN |
Data scaling #2 _software.classification | FBSCALE |
Phasing _software.classification | PHASES |
Refinement _software.classification | CNS (1.1) |
| 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} | 81.61 140.63 81.91 90.00 102.87 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54180 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 34.620 | 2.400 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.310 | 2.310 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.060 | - |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs | 71362 | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 24.01 | 6.60 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 90.5 | 44.1 |
Multiplicity _reflns.pdbx_redundancy | 2.9 | - |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 2G67 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2006-02-24 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 34.6 - 2.320 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2120 / 0.2810 |
Structure solution method _refine.pdbx_method_to_determine_struct | DIFFERENCE FOURIER |
Starting model _refine.pdbx_starting_model | 1L8A |