3A7S
Catalytic domain of UCH37
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-05-22 |
Detector | Bruker DIP-6040 |
Wavelength(s) | 0.9 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 67.583, 57.064, 48.736 |
Unit cell angles | 90.00, 100.91, 90.00 |
Refinement procedure
Resolution | 19.930 - 2.200 |
Rwork | 0.205 |
R-free | 0.25500 |
Structure solution method | MAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.400 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX (2.13) |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.110 | 0.409 |
Number of reflections | 9161 | |
<I/σ(I)> | 18.36 | |
Completeness [%] | 97.8 | 95.9 |
Redundancy | 3.4 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
2 | ||||
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 22% PEG 4000, 0.2M Magnesium chloride, 0.1M Tris-HCl, 3.5% Xylitol, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |