| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | MAD |
Source type _diffrn_source.source | SYNCHROTRON |
Source details _diffrn_source.type | ALS BEAMLINE 8.3.1 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | ALS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 8.3.1 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2003-12-06 |
Detector _diffrn_detector.type | ADSC QUANTUM 4 |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.12714, 0.97960, 0.95373, 1.8926 |
| Software | |
Data reduction #1 _software.classification | HKL-2000 |
Data reduction #2 _software.classification | ELVES |
Data scaling _software.classification | HKL-2000 |
Phasing _software.classification | CCP4 |
Refinement _software.classification | REFMAC (5.1.24) |
| 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} | 67.638 58.757 73.815 90.00 102.15 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.127140.979600.953731.89260 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 72.550 |
High resolution limit [Å] _reflns.d_resolution_high | 1.950 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.044 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 38658 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 18.30 |
Completeness [%] _reflns.percent_possible_obs | 98.0 |
Multiplicity _reflns.pdbx_redundancy | 3.5 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1TXO |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2004-07-05 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 72.5 - 1.950 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1990 / 0.2303 |
Structure solution method _refine.pdbx_method_to_determine_struct | MAD |