3LHO
Crystal structure of putative hydrolase (YP_751971.1) from Shewanella frigidimarina NCIMB 400 at 1.80 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 | 2009-11-06 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91837,0.97949,0.97934 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.098, 75.035, 91.112 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.560 - 1.800 |
R-factor | 0.175 |
Rwork | 0.173 |
R-free | 0.20700 |
Structure solution method | MAD |
RMSD bond length | 0.017 |
RMSD bond angle | 1.459 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.961 | 1.860 | |
High resolution limit [Å] | 1.800 | 3.870 | 1.800 |
Rmerge | 0.069 | 0.032 | 0.695 |
Number of reflections | 27317 | 5019 | 4681 |
<I/σ(I)> | 7.95 | 23.5 | 1.3 |
Completeness [%] | 98.3 | 96.1 | 96.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.57 | 293 | 1.3000M ammonium sulfate, 2.2500% polyethylene glycol 400, 15.0000% Glycerol, 0.1M HEPES pH 7.57, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K |