| 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 | ELETTRA BEAMLINE 5.2R |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | ELETTRA |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 5.2R |
Temperature [K] _diffrn.ambient_temp | 100.0 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2002-07-31 |
Detector _diffrn_detector.type | MAR CCD 165 mm |
| Software | |
Data collection _software.classification | MAR345 |
Data reduction _software.classification | DENZO |
Data scaling _software.classification | SCALEPACK |
Phasing _software.classification | AMoRE |
Refinement _software.classification | CNS (1.2) |
| 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} | 65.649 50.548 142.548 90.00 92.94 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.20000 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 24.300 |
High resolution limit [Å] _reflns.d_resolution_high | 2.980 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.160 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 18803 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 3.90 |
Completeness [%] _reflns.percent_possible_obs | 98.3 |
Multiplicity _reflns.pdbx_redundancy | 2.9 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 3CN7 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2008-03-25 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 23.8 - 2.990 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2040 / 0.2740 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | PDB ENTRY 1AUO, CHAIN Å |