4QR8
Crystal Structure of E coli pepQ
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 120 |
Detector technology | CCD |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 72.569, 97.440, 126.936 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.450 - 1.999 |
R-factor | 0.1742 |
Rwork | 0.173 |
R-free | 0.21140 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.802 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.695 | |
Number of reflections | 59597 | |
<I/σ(I)> | 2 | |
Completeness [%] | 97.0 | 92.3 |
Redundancy | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 0.1 M Bis-Tris, pH 6.5, 19% PEG MME 5000, VAPOR DIFFUSION, HANGING DROP, temperature 277K |