| 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 | APS BEAMLINE 31-ID |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | APS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 31-ID |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2003-06-27 |
Detector _diffrn_detector.type | MAR CCD 165 mm |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.979 |
| Software | |
Data collection _software.classification | MAR345dtb |
Data reduction _software.classification | DENZO (Zbyszek Otwinowski; hkl@hkl-xray.com) |
Data scaling _software.classification | SCALEPACK (Zbyszek Otwinowski; hkl@hkl-xray.com) |
Phasing #1 _software.classification | SHARP (Eric de La Fortelle; sharp-develop@globalphasing.com) |
Phasing #2 _software.classification | SOLOMON (Jan P. Abrahams; ccp4@ccp4.ac.uk) |
Refinement _software.classification | REFMAC (5.5.0102; Garib N. Murshudov; garib@ysbl.york.ac.uk) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 63 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 165.993 165.993 172.355 90.0 90.0 120.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.97900 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 25.000 |
High resolution limit [Å] _reflns.d_resolution_high | 3.000 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.100 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 52300 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 12.70 |
Completeness [%] _reflns.percent_possible_obs | 97.7 |
| Multiplicity | - |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 3KYH |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2009-12-06 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 20.0 - 3.000 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2492 / 0.2980 |
Structure solution method _refine.pdbx_method_to_determine_struct | MIRAS |