| Experiment | |
|---|---|
Method _exptl.method | NEUTRON DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | LAUE |
Temperature [K] _diffrn.ambient_temp | 295 |
Detector technology _diffrn_detector.detector | IMAGE PLATE |
Collection date _diffrn_detector.pdbx_collection_date | 1997-12 |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 2.7-3.5 |
| Software | |
Data reduction _software.classification | CCP4 (LAUE SUITE) |
Data scaling _software.classification | CCP4 (LAUE SUITE) |
Refinement #1 _software.classification | CCP4 (LAUE SUITE MODIFIED FOR CYLINDER GEOMETRY (C. WILKINSON)) |
Refinement #2 _software.classification | X-PLOR (3.1) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 27.28 32.04 34.27 88.8 108.8 111.6 |
Wavelength _diffrn_radiation_wavelength.wavelength | 2.700003.50000 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 13.600 |
High resolution limit [Å] _reflns.d_resolution_high | 1.700 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.146 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 8976 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 35.00 |
Completeness [%] _reflns.percent_possible_obs | 83.0 |
Multiplicity _reflns.pdbx_redundancy | 3.7 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1LZN |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1999-03-23 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 13.6 - 1.700 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2040 / 0.2210 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMEN XPLOR |
Starting model _refine.pdbx_starting_model | PDB ENTRY 4LZT |