| 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 | ESRF BEAMLINE ID14-1 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | ESRF |
Beamline _diffrn_source.pdbx_synchrotron_beamline | ID14-1 |
Temperature [K] _diffrn.ambient_temp | 120 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2010-12-09 |
Detector _diffrn_detector.type | ADSC QUANTUM 210 |
| Software | |
Data collection _software.classification | ADSC (Quantum) |
Data reduction _software.classification | MOSFLM |
Data scaling _software.classification | SCALA |
Phasing #1 _software.classification | AMoRE |
Phasing #2 _software.classification | MOLREP |
Phasing #3 _software.classification | CCP4 |
Refinement _software.classification | REFMAC (5.5.0088) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 1 21 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 66.98 107.67 96.46 90.00 91.92 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | NA |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 107.670 |
High resolution limit [Å] _reflns.d_resolution_high | 2.240 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.140 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 65603 |
| <I/σ(I)> | - |
Completeness [%] _reflns.percent_possible_obs | 98.4 |
| Multiplicity | - |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 3U14 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2011-09-29 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 50.0 - 2.240 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1937 / 0.2315 |
Structure solution method _refine.pdbx_method_to_determine_struct | Molecular Replacement & FOURIER SYNTHESIS |
Starting model _refine.pdbx_starting_model | 3KF3 |