3CNH
Crystal structure of predicted hydrolase of haloacid dehalogenase-like superfamily (NP_295428.1) from Deinococcus radiodurans at 1.66 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-02-21 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91837, 0.97922, 0.97908 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 74.108, 74.108, 160.923 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.355 - 1.660 |
R-factor | 0.161 |
Rwork | 0.160 |
R-free | 0.18700 |
Structure solution method | MAD |
RMSD bond length | 0.016 |
RMSD bond angle | 1.669 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.4.0067) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 35.355 | 35.355 | 1.720 |
High resolution limit [Å] | 1.660 | 3.570 | 1.660 |
Rmerge | 0.055 | 0.031 | 0.716 |
Number of reflections | 53836 | 5780 | 5323 |
<I/σ(I)> | 17.74 | 41.5 | 2.1 |
Completeness [%] | 99.8 | 99 | 99.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 277 | NANODROP, 0.2M NaCl, 20.0% PEG 8000, 0.1M Phosphate citrate pH 4.2, VAPOR DIFFUSION, SITTING DROP, temperature 277K |