| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Source type _diffrn_source.source | ROTATING ANODE |
Source details _diffrn_source.type | MACSCIENCE M18X |
Temperature [K] _diffrn.ambient_temp | 293 |
Detector technology _diffrn_detector.detector | AREA DETECTOR |
Collection date _diffrn_detector.pdbx_collection_date | 1996-11 |
Detector _diffrn_detector.type | SIEMENS |
| Software | |
Data reduction _software.classification | XENGEN |
Data scaling _software.classification | XENGEN |
Phasing _software.classification | CCP4 |
Model building _software.classification | CCP4 |
Refinement _software.classification | CCP4 |
| 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} | 42.61 41.69 72.78 90.00 104.24 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.54180 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 30.900 | 2.250 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.000 | 2.000 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.076 | 0.064 |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs | 14777 | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 33.61 | 10.70 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 81.0 | 73.0 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 3.4 | 2.3 |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1AVN |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1997-09-17 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 15.0 - 2.000 Å |
Rwork _refine.ls_R_factor_R_work | 0.1540 WARNING: no Rfree given (but Rwork)!? |
Structure solution method _refine.pdbx_method_to_determine_struct | FOURIER SYNTHESIS |