4LHS
Crystal structure of a putative GDSL-like lipase (BACOVA_00914) from Bacteroides ovatus ATCC 8483 at 1.40 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL14-1 |
Synchrotron site | SSRL |
Beamline | BL14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-01-14 |
Detector | MARMOSAIC 325 mm CCD |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 87.890, 71.573, 63.102 |
Unit cell angles | 90.00, 125.89, 90.00 |
Refinement procedure
Resolution | 29.317 - 1.400 |
R-factor | 0.128 |
Rwork | 0.126 |
R-free | 0.16370 |
Structure solution method | SAD |
RMSD bond length | 0.013 |
RMSD bond angle | 1.558 |
Data reduction software | XDS |
Data scaling software | XSCALE (December 29, 2011) |
Phasing software | SHELX |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.317 | 29.317 | 1.450 |
High resolution limit [Å] | 1.400 | 3.010 | 1.400 |
Rmerge | 0.066 | 0.034 | 0.618 |
Number of reflections | 61438 | 11434 | 12167 |
<I/σ(I)> | 8.87 | 20 | 2 |
Completeness [%] | 98.1 | 91.8 | 98.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.0500M lithium sulfate, 10.00% Glycerol, 30.00% polyethylene glycol 600, 0.1M HEPES pH 7.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |