3ESH
Crystal structure of a probable metal-dependent hydrolase from Staphylococcus aureus. Northeast Structural Genomics target ZR314
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-07-25 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.979 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 113.110, 113.110, 155.807 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.770 - 2.500 |
R-factor | 0.228 |
Rwork | 0.228 |
R-free | 0.27400 |
Structure solution method | SAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.400 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SOLVE |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.500 |
High resolution limit [Å] | 2.500 | 2.390 |
Rmerge | 0.085 | 0.292 |
Number of reflections | 85257 | |
<I/σ(I)> | 11.7 | 11.2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 5.3 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.8 | 293 | 0.17% 2,6-Naphthalenedisulfonic acid 0.17% 2,7-Naphthalenedisulfonic acid 0.17% Anthraquinone-2,6-disulfonic acid 25 mM HEPES sodium pH 6.8 6.25% PEG 3350 , VAPOR DIFFUSION, SITTING DROP, temperature 293K |