| 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 | 100.00 |
Detector technology _diffrn_detector.detector | IMAGE PLATE |
Collection date _diffrn_detector.pdbx_collection_date | 1996-04-30 |
Detector _diffrn_detector.type | FUJI |
| Software | |
Data reduction _software.classification | DENZO |
Data scaling _software.classification | SCALEPACK |
Phasing #1 _software.classification | CCP4 |
Phasing #2 _software.classification | X-PLOR |
Phasing #3 _software.classification | CNS |
Model building #1 _software.classification | CCP4 |
Model building #2 _software.classification | X-PLOR/CNS |
Refinement _software.classification | CNS |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 61 2 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 58.67 58.67 248.84 90.0 90.0 120.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | NA |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 20.000 |
High resolution limit [Å] _reflns.d_resolution_high | 3.500 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.057 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 6037 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 11.30 |
Completeness [%] _reflns.percent_possible_obs | 99.1 |
Multiplicity _reflns.pdbx_redundancy | 4.9 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 357D |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1997-10-09 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 10.0 - 3.500 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.3120 / 0.2650 |
Structure solution method _refine.pdbx_method_to_determine_struct | MAD PHASES FROM A BROMINE WERE COMBINED WITH MAD AND SIRAS PHASES FROM A MERCURY DERIVIATIVE. MLPHARE WAS USED TO CALCULATE THE PHASES WHILE SIGMAA WAS USED TO COMBINE THE THREE PHASES SETS. |