| 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 | 107 |
Detector technology _diffrn_detector.detector | IMAGE PLATE |
Collection date _diffrn_detector.pdbx_collection_date | 1997-07-07 |
Detector _diffrn_detector.type | RIGAKU RAXIS II |
| Software | |
Data collection _software.classification | R-AXISII |
Data reduction #1 _software.classification | PROTEIN (V4) |
Data reduction #2 _software.classification | R-AXIS (II) |
Data scaling _software.classification | PROTEIN (V. 4) |
Phasing _software.classification | X-PLOR (3.0) |
Model building _software.classification | X-PLOR (3.0) |
Refinement _software.classification | X-PLOR (3.0) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | I 4 3 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 180.89 180.89 180.89 90.0 90.0 90.0 |
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 | 100.000 | 1.967 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.800 | 1.800 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.073 | - |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs | 45702 | - |
| <I/σ(I)> | - | - |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 87.1 | 70.1 |
Multiplicity _reflns.pdbx_redundancy | 7.2 | - |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 2QWG |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1998-04-07 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 6.0 - 1.800 Å |
R _refine.ls_R_factor_obs | 0.1830 |
Rwork _refine.ls_R_factor_R_work | 0.1830 WARNING: no Rfree given? |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | TERN N9 NEURAMINIDASE |