| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Source type _diffrn_source.source | SYNCHROTRON |
Source details _diffrn_source.type | MPG/DESY, HAMBURG BEAMLINE BW6 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | MPG/DESY, HAMBURG |
Beamline _diffrn_source.pdbx_synchrotron_beamline | BW6 |
Temperature [K] _diffrn.ambient_temp | 90 |
Detector technology _diffrn_detector.detector | IMAGE PLATE |
Collection date _diffrn_detector.pdbx_collection_date | 1996-10 |
Detector _diffrn_detector.type | MARRESEARCH |
| Software | |
Data reduction #1 _software.classification | DENZO |
Data reduction #2 _software.classification | MOSFLM |
Data scaling #1 _software.classification | SCALEPACK |
Data scaling #2 _software.classification | CCP4 (AGROVATA |
Data scaling #3 _software.classification | ROTAVATA |
Data scaling #4 _software.classification | TRUNCATE |
Phasing #1 _software.classification | MADSYS |
Phasing #2 _software.classification | MADPRB |
Phasing #3 _software.classification | X-PLOR (3.851) |
Model building #1 _software.classification | MADPRB |
Model building #2 _software.classification | X-PLOR (3.851) |
Refinement _software.classification | X-PLOR (3.851) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 41 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 47.10 47.10 68.82 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.05000 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 14.600 | 1.310 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.280 | 1.280 |
Rmerge _reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value | 0.033 | 0.357 |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs | 36004 | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 14.10 | 1.60 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 93.6 | 78.2 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 4.6 | 2.5 |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1C52 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1997-06-23 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 8.0 - 1.280 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1910 / 0.2240 |
Structure solution method _refine.pdbx_method_to_determine_struct | MAD |