| 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 5ID-B |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | APS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 5ID-B |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2004-11-11 |
Detector _diffrn_detector.type | marccd |
| Software | |
Data scaling #1 _software.classification | SCALA (Phil Evans; pre@mrc-lmb.cam.ac.uk) |
Data scaling #2 _software.classification | CCP4 (SCALA) |
Phasing #1 _software.classification | PHASER (R. J. Read; cimr-phaser@lists.cam.ac.uk) |
Phasing #2 _software.classification | SHARP (de La Fortelle; sharp-develop@globalphasing.com) |
Phasing #3 _software.classification | SOLOMON (Abrahams J. P.; ccp4@dl.ac.uk) |
Refinement _software.classification | CNS (Axel T. Brunger; axel.brunger@yale.edu) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | C 1 2 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 179.277 85.231 101.912 90.00 96.83 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.139741.140791.10500 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 21.050 |
High resolution limit [Å] _reflns.d_resolution_high | 3.850 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.060 |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 13927 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 11.50 |
Completeness [%] _reflns.percent_possible_obs | 97.2 |
Multiplicity _reflns.pdbx_redundancy | 2.7 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 2A2E |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2005-06-22 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 8.0 - 3.850 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.3441 / 0.3617 |