3PGV
Crystal structure of a haloacid dehalogenase-like hydrolase (KPN_04322) from Klebsiella pneumoniae subsp. pneumoniae MGH 78578 at 2.39 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-04-10 |
Detector | MARMOSAIC 325 mm CCD |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 118.569, 61.961, 169.407 |
Unit cell angles | 90.00, 94.19, 90.00 |
Refinement procedure
Resolution | 46.778 - 2.390 |
R-factor | 0.1688 |
Rwork | 0.167 |
R-free | 0.21060 |
Structure solution method | SAD |
RMSD bond length | 0.010 |
RMSD bond angle | 0.570 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | BUSTER-TNT (BUSTER 2.8.0) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.778 | 2.480 | |
High resolution limit [Å] | 2.390 | 5.120 | 2.390 |
Rmerge | 0.123 | 0.071 | 0.538 |
Number of reflections | 48581 | 4974 | 5084 |
<I/σ(I)> | 8.04 | 16.4 | 1.8 |
Completeness [%] | 99.2 | 96.8 | 99.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 15.0% Glycerol, 8.50% iso-Propanol, 17.0% PEG-4000, 0.1M HEPES pH 7.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |