4X7M
Crystal structure of S. aureus TarM G117R mutant in complex with UDP and UDP-GlcNAc
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08B1-1 |
Synchrotron site | CLSI |
Beamline | 08B1-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-06-01 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 0.978 |
Spacegroup name | P 1 |
Unit cell lengths | 44.072, 90.944, 94.441 |
Unit cell angles | 109.27, 99.03, 101.53 |
Refinement procedure
Resolution | 46.040 - 2.400 |
R-factor | 0.2348 |
Rwork | 0.233 |
R-free | 0.27430 |
Structure solution method | MOLECULAR REPLACEMENT |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | BUSTER |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.040 | 46.040 | 2.480 |
High resolution limit [Å] | 2.400 | 9.600 | 2.400 |
Rmerge | 0.031 | 0.013 | 0.448 |
Rpim | 0.031 | 0.013 | 0.448 |
Total number of observations | 97880 | 1483 | 9180 |
Number of reflections | 49087 | ||
<I/σ(I)> | 16.3 | 57.5 | 2 |
Completeness [%] | 95.3 | 92.3 | 96.5 |
Redundancy | 2 | 2 | 2 |
CC(1/2) | 0.999 | 0.999 | 0.764 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1 MES pH 6.5, 10-14 % w/v PEG 20000 |