4Q5K
Crystal structure of a N-acetylmuramoyl-L-alanine amidase (BACUNI_02947) from Bacteroides uniformis ATCC 8492 at 1.30 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 | 49.471, 60.930, 80.122 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.061 - 1.300 |
R-factor | 0.1173 |
Rwork | 0.116 |
R-free | 0.14940 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4h4j |
RMSD bond length | 0.011 |
RMSD bond angle | 1.372 |
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] | 40.061 | 40.061 | 1.350 |
High resolution limit [Å] | 1.300 | 2.800 | 1.300 |
Rmerge | 0.039 | 0.019 | 0.558 |
Number of reflections | 60273 | 6319 | 6373 |
<I/σ(I)> | 20.41 | 56.9 | 2.54 |
Completeness [%] | 99.9 | 99.3 | 99.9 |
Redundancy | 3.99 | 3.94 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 29% polyethylene glycol 4000, 0.1mM Tris pH8.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |