| 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 | NSLS BEAMLINE X4A |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | NSLS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | X4A |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2006-06-20 |
Detector _diffrn_detector.type | ADSC QUANTUM 4 |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.97899 |
| Software | |
Data collection _software.classification | ADSC (QUANTUM) |
Data reduction _software.classification | HKL-2000 |
Data scaling _software.classification | SCALEPACK |
Phasing #1 _software.classification | SnB |
Phasing #2 _software.classification | SOLVE |
Phasing #3 _software.classification | RESOLVE |
Refinement #1 _software.classification | CNS (1.1) |
Refinement #2 _software.classification | XTALVIEW |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 21 21 21 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 44.188 76.099 74.550 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.97899 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 26.680 |
High resolution limit [Å] _reflns.d_resolution_high | 3.000 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.078 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 9635 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 24.50 |
Completeness [%] _reflns.percent_possible_obs | 99.1 |
Multiplicity _reflns.pdbx_redundancy | 8.6 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 2ID1 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2006-09-13 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 26.7 - 3.000 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2280 / 0.2690 |
Structure solution method _refine.pdbx_method_to_determine_struct | SAD |