4H4J
Crystal structure of a N-acetylmuramoyl-L-alanine amidase (BACUNI_02947) from Bacteroides uniformis ATCC 8492 at 1.15 A resolution
Experimental procedure
Experimental method | SAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-07-16 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.349, 63.713, 72.962 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.666 - 1.150 |
R-factor | 0.1323 |
Rwork | 0.131 |
R-free | 0.16400 |
Structure solution method | SAD |
RMSD bond length | 0.017 |
RMSD bond angle | 1.756 |
Data reduction software | XDS |
Data scaling software | XSCALE (March 15, 2012) |
Phasing software | SHELX |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.666 | 28.670 | 1.190 |
High resolution limit [Å] | 1.150 | 2.480 | 1.150 |
Rmerge | 0.067 | 0.045 | 0.883 |
Number of reflections | 71198 | 14598 | 8700 |
<I/σ(I)> | 12.95 | 34.9 | 1.84 |
Completeness [%] | 92.1 | 98.4 | 60.2 |
Redundancy | 13.15 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 30.0% polyethylene glycol 1500, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |