| 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 | APS BEAMLINE 19-ID |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | APS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 19-ID |
Temperature [K] _diffrn.ambient_temp | 108 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2002-10-18 |
Detector _diffrn_detector.type | CUSTOM-MADE |
| Software | |
Data reduction _software.classification | HKL-2000 |
Data scaling _software.classification | SCALEPACK |
Phasing #1 _software.classification | MLPHARE |
Phasing #2 _software.classification | PHASER |
Phasing #3 _software.classification | AMoRE |
Phasing #4 _software.classification | CNS |
Phasing #5 _software.classification | PHENIX |
Model building _software.classification | PHENIX |
Refinement #1 _software.classification | PHENIX (phenix.refine: 1.8.2_1309) |
Refinement #2 _software.classification | CNS |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 21 21 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 242.332 94.621 52.408 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.919600.97940 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 40.000 | 3.110 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 3.000 | 3.000 |
| Rmerge | - | - |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs | 22526 | - |
| <I/σ(I)> | - | - |
Completeness [%] _reflns_shell.percent_possible_all | - | 89.8 |
Multiplicity _reflns.pdbx_redundancy | 3.8 | - |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 4MH8 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2013-08-29 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 39.6 - 3.000 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2352 / 0.2769 |
Structure solution method _refine.pdbx_method_to_determine_struct | MIRAS AND MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | PDB ENTRY 1QAJ, 4HKQ |