4M8K
Crystal structure of a putative GDSL-like lipase (BACUNI_00748) from Bacteroides uniformis ATCC 8492 at 1.90 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-06-06 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97971,0.91837,0.97908 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 49.244, 72.319, 62.900 |
Unit cell angles | 90.00, 91.53, 90.00 |
Refinement procedure
Resolution | 29.142 - 1.900 |
R-factor | 0.1625 |
Rwork | 0.160 |
R-free | 0.20620 |
Structure solution method | MAD |
RMSD bond length | 0.015 |
RMSD bond angle | 1.534 |
Data reduction software | XDS |
Data scaling software | XSCALE (July 4, 2012) |
Phasing software | SHELX |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.142 | 29.140 | 1.970 |
High resolution limit [Å] | 1.900 | 4.080 | 1.900 |
Rmerge | 0.075 | 0.026 | 0.643 |
Number of reflections | 34218 | 6591 | 6441 |
<I/σ(I)> | 8.21 | 24.7 | 1.33 |
Completeness [%] | 94.9 | 94.8 | 90.8 |
Redundancy | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | 0.2M ammonium acetate, 30.0% polyethylene glycol 4000, 0.1M sodium citrate pH 5.6, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K |