4Q68
Crystal structure of a N-acetylmuramoyl-L-alanine amidase (BACUNI_02947) from Bacteroides uniformis ATCC 8492 at 1.07 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 | 2014-03-18 |
Detector | MARMOSAIC 325 mm CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.473, 63.552, 73.997 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.355 - 1.070 |
R-factor | 0.1117 |
Rwork | 0.110 |
R-free | 0.13770 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4h4j |
RMSD bond length | 0.009 |
RMSD bond angle | 1.362 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.470 | 46.470 | 1.110 |
High resolution limit [Å] | 1.070 | 2.300 | 1.070 |
Rmerge | 0.034 | 0.016 | 0.340 |
Number of reflections | 93219 | 10144 | 8518 |
<I/σ(I)> | 22.87 | 64.9 | 3 |
Completeness [%] | 95.9 | 99.1 | 85 |
Redundancy | 3.93 | 2.97 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 30.00% polyethylene glycol 1500, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |