| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE WAVELENGTH |
Source type _diffrn_source.source | SYNCHROTRON |
Source details _diffrn_source.type | DIAMOND BEAMLINE I04 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | Diamond |
Beamline _diffrn_source.pdbx_synchrotron_beamline | I04 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2007-03-13 |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.0 |
| Software | |
Data reduction _software.classification | XDS |
Data scaling _software.classification | XDS |
Phasing _software.classification | MLPHARE (Eleanor J. Dodson; ccp4@ccp4.ac.uk) |
Refinement #1 _software.classification | PHENIX |
Refinement #2 _software.classification | REFMAC (Garib N. Murshudov; garib@ysbl.york.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} | 38.666 65.849 42.209 90.00 110.82 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.00000 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 50.000 |
High resolution limit [Å] _reflns.d_resolution_high | 1.500 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.093 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 30804 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 8.50 |
Completeness [%] _reflns.percent_possible_obs | 97.2 |
Multiplicity _reflns.pdbx_redundancy | 3.3 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 3DG9 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2008-06-13 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 39.5 - 1.500 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1550 / 0.1880 |