6BAW
Structure of GRP94 with a selective resorcinylic inhibitor.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-07-12 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.0333 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 93.647, 93.710, 175.408 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.903 - 2.703 |
R-factor | 0.2158 |
Rwork | 0.214 |
R-free | 0.25740 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.461 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX ((1.12rc0_2784: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.750 |
High resolution limit [Å] | 2.700 | 2.700 |
Number of reflections | 41640 | |
<I/σ(I)> | 9 | |
Completeness [%] | 96.8 | |
Redundancy | 5.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | Peg 2000 MME, Ammonium phosphate, Sodium Cacodylate pH 6.5 |