| 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 | SSRL BEAMLINE BL11-1 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | SSRL |
Beamline _diffrn_source.pdbx_synchrotron_beamline | BL11-1 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2004-05-01 |
Detector _diffrn_detector.type | ADSC QUANTUM 315 |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.954, 0.855 |
| Software | |
Data reduction _software.classification | XDS |
Data scaling _software.classification | Aimless |
Model building #1 _software.classification | ARP/wARP |
Model building #2 _software.classification | Coot (0.8.9.1) |
Refinement #1 _software.classification | REFMAC (5) |
Refinement #2 _software.classification | PHENIX (v 1.14-3247-000) |
Refinement #3 _software.classification | SHELXL |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | I 2 2 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 92.478 97.459 102.485 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.954000.85500 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 38.700 | 1.135 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.096 | 1.096 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.070 | - |
Rmeas _reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all | 0.072 | 0.438 |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs | 180192 | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 10.70 | - |
Completeness [%] _reflns.percent_possible_obs | 95.7 | - |
Multiplicity _reflns.pdbx_redundancy | 3.3 | - |
CC(1/2) _reflns.pdbx_CC_half | 0.990 | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 6QRR |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2019-02-19 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 38.7 - 1.096 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1210 / 0.1470 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 1MUW |