| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE WAVELENGTH |
Source type _diffrn_source.source | SEALED TUBE |
Source details _diffrn_source.type | OXFORD DIFFRACTION ENHANCE ULTRA |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CMOS |
Collection date _diffrn_detector.pdbx_collection_date | 2013-08-20 |
Detector _diffrn_detector.type | BRUKER PHOTON 100 |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.5418 |
| Software | |
Data reduction _software.classification | SAINT (V8.30C) |
Data scaling _software.classification | SAINT (V8.30C) |
Phasing _software.classification | CNS (1.2) |
Refinement _software.classification | CNS |
| 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} | 77.023 89.410 68.604 90.000 97.816 90.000 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54180 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 19.000 | 19.000 | 2.066 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.995 | 4.288 | 1.995 |
Rmerge _reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value | 0.070 | 0.052 | 0.187 |
| Rmeas | - | - | - |
| Rpim | - | - | - |
Total number of observations _reflns.pdbx_number_measured_all | 181113 | - | - |
Total number unique _reflns.number_obs | 31283 | - | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 31.15 | - | - |
Completeness [%] _reflns.percent_possible_obs | 99.0 | - | - |
Multiplicity _reflns.pdbx_redundancy | 5.8 | - | - |
| CC(1/2) | - | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 5L6X |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2016-06-01 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 10.0 - 2.000 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1806 / 0.2132 |
Structure solution method _refine.pdbx_method_to_determine_struct | FOURIER SYNTHESIS |
Starting model _refine.pdbx_starting_model | 3pgt |