| 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 | SLS BEAMLINE X06DA |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | SLS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | X06DA |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | PIXEL |
Collection date _diffrn_detector.pdbx_collection_date | 2013-08-23 |
Detector _diffrn_detector.type | DECTRIS PILATUS 2M |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.00004 |
| Software | |
Data scaling _software.classification | SCALA (3.3.16) |
Phasing #1 _software.classification | SHELX |
Phasing #2 _software.classification | RESOLVE (2.13) |
Refinement _software.classification | REFMAC (5.7.0029) |
| 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} | 157.538 34.361 106.885 90.00 93.67 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.00004 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 45.509 | 45.509 | 2.960 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.800 | 8.870 | 2.800 |
Rmerge _reflns.pdbx_Rsym_value _reflns_shell.Rmerge_I_obs | 0.044 | 0.012 | 0.697 |
Rmeas _reflns.pdbx_Rrim_I_all | 0.052 | - | - |
Rpim _reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all | 0.027 | 0.008 | 0.429 |
Total number of observations _reflns.pdbx_number_measured_all _reflns_shell.number_measured_all | 52140 | 1759 | 7064 |
Total number unique _reflns.number_obs _reflns_shell.number_unique_all | 14418 | 512 | 1999 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 20.00 | 46.30 | 1.10 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 99.2 | 99.1 | 96.5 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 3.6 | 3.4 | 3.5 |
| CC(1/2) | - | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 4WT4 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2014-10-29 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 30.0 - 2.810 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2399 / 0.2894 |
Structure solution method _refine.pdbx_method_to_determine_struct | SIRAS |