| Experiment | |
|---|---|
Method _exptl.method | NEUTRON DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE WAVELENGTH |
Source type _diffrn_source.source | NUCLEAR REACTOR |
Source details _diffrn_source.type | JRR-3M BEAMLINE 1G-B |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | JRR-3M |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 1G-B |
Temperature [K] _diffrn.ambient_temp | 298.0 |
Detector technology _diffrn_detector.detector | IMAGE PLATE |
Collection date _diffrn_detector.pdbx_collection_date | 2004-08-20 |
Detector _diffrn_detector.type | MACSCIENCE |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 2.9 |
| Software | |
Data reduction _software.classification | DENZO |
Data scaling _software.classification | SCALEPACK |
Phasing _software.classification | CNS |
Refinement _software.classification | CNS |
| 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} | 63.79 84.45 54.35 90.00 99.33 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 2.90000 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 62.500 |
High resolution limit [Å] _reflns.d_resolution_high | 2.000 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.099 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 21841 |
| <I/σ(I)> | - |
Completeness [%] _reflns.percent_possible_obs | 70.5 |
| Multiplicity | - |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 2DXM |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2006-08-28 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 8.0 - 2.100 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1966 / 0.2602 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | Deoxy Human HB X-ray model(unpublished) |