| 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 | ALS BEAMLINE 5.0.2 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | ALS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 5.0.2 |
Temperature [K] _diffrn.ambient_temp | 110 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2009-11-11 |
Detector _diffrn_detector.type | ADSC QUANTUM 315r |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1 |
| Software | |
Data reduction _software.classification | XDS |
Data scaling _software.classification | autoPROC |
Phasing _software.classification | BUSTER |
Refinement _software.classification | BUSTER |
| 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} | 144.76 67.55 107.53 90.00 95.53 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.00000 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 62.630 | 1.580 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.490 | 1.490 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.096 | - |
Rmeas _reflns.pdbx_Rrim_I_all | 0.116 | - |
Rpim _reflns.pdbx_Rpim_I_all | 0.064 | - |
Total number of observations _reflns.pdbx_number_measured_all | 243828 | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 90461 | 1683 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 4.10 | - |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 54.2 | 7.0 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 2.7 | 1.6 |
CC(1/2) _reflns.pdbx_CC_half | 0.998 | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 6C1S |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2018-01-05 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 41.1 - 2.310 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1970 / 0.2570 |
Structure solution method _refine.pdbx_method_to_determine_struct | FOURIER SYNTHESIS |
Starting model _refine.pdbx_starting_model | 4wwo |