3F6A
Crystal structure of a hydrolase, NUDIX family from Clostridium perfringens
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X12C |
Synchrotron site | NSLS |
Beamline | X12C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-10-29 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.076, 62.614, 120.273 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.350 - 2.020 |
R-factor | 0.226 |
Rwork | 0.226 |
R-free | 0.26300 |
Structure solution method | SAD |
RMSD bond length | 0.005 |
RMSD bond angle | 1.400 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELXD |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.350 | 2.090 |
High resolution limit [Å] | 2.020 | 2.020 |
Rmerge | 0.098 | 0.334 |
Number of reflections | 21021 | |
<I/σ(I)> | 11.8 | 1 |
Completeness [%] | 100.0 | 100 |
Redundancy | 12.9 | 11.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 3.5 | 298 | 0.1M citric acid, 3.0M sodium chloride, pH 3.5, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K |