| 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 | SLS BEAMLINE X06SA |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | SLS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | X06SA |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2005-11-27 |
Detector _diffrn_detector.type | MAR CCD 225 mm |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.98016 |
| Software | |
Data collection _software.classification | MAR345 |
Data reduction #1 _software.classification | DENZO (Zbyszek Otwinowski; zbyszek@mix.swmed.edu) |
Data reduction #2 _software.classification | HKL-2000 |
Data scaling #1 _software.classification | SCALEPACK (Zbyszek Otwinowski; zbyszek@mix.swmed.edu) |
Data scaling #2 _software.classification | HKL-2000 |
Phasing _software.classification | CNS |
Refinement _software.classification | CNS (Axel T. Brunger; axel.brunger@yale.edu) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | I 4 2 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 508.54 508.54 806.29 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.98016 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 300.000 |
High resolution limit [Å] _reflns.d_resolution_high | 5.500 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.102 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 169350 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 9.40 |
Completeness [%] _reflns.percent_possible_obs | 99.3 |
Multiplicity _reflns.pdbx_redundancy | 7.2 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 4V4Y |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2006-06-27 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 300.0 - 5.500 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2430 / 0.3260 |
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 |