| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | MAD |
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 |
Detector technology _diffrn_detector.detector | IMAGE PLATE |
Collection date _diffrn_detector.pdbx_collection_date | 2005-04-26 |
Detector _diffrn_detector.type | MAR scanner 345 mm plate |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.05 |
| Software | |
Data reduction _software.classification | DENZO (Zbyszek Otwinowski; zbyszek@mix.swmed.edu) |
Data scaling _software.classification | SCALEPACK (Zbyszek Otwinowski; zbyszek@mix.swmed.edu) |
Phasing #1 _software.classification | SOLVE (Tom Terwilliger; terwilliger@LANL.gov) |
Phasing #2 _software.classification | RESOLVE (Terwilliger, T. C; terwilliger@LANL.gov) |
Phasing #3 _software.classification | MOLREP |
Refinement _software.classification | REFMAC (5.2.0003; Murshudov, G.N.; ccp4@dl.ac.uk) |
| 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} | 30.796 185.414 42.529 90.00 91.83 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.05000 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 20.000 |
High resolution limit [Å] _reflns.d_resolution_high | 1.900 |
Rmerge _reflns.pdbx_Rsym_value | 0.045 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 37385 |
| <I/σ(I)> | - |
| Completeness [%] | - |
Multiplicity _reflns.pdbx_redundancy | 14.1 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 2REG |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2007-09-26 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 20.0 - 1.900 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1796 / 0.2224 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | WARNING: no starting model (for MR) given |