6Q0Y
Crystal structure of MurA from Clostridium difficile, mutant C116S, in the presence of Uridine-Diphosphate-N-Acetylglucosamine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-06-23 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9981 |
Spacegroup name | I 2 3 |
Unit cell lengths | 138.647, 138.647, 138.647 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.690 - 1.700 |
R-factor | 0.1743 |
Rwork | 0.172 |
R-free | 0.20920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6q03 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.672 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.730 |
High resolution limit [Å] | 1.700 | 4.610 | 1.700 |
Rmerge | 0.078 | 0.058 | 0.437 |
Rmeas | 0.080 | 0.059 | 0.461 |
Rpim | 0.016 | 0.011 | 0.145 |
Number of reflections | 48924 | 2549 | 2420 |
<I/σ(I)> | 12.6 | 3.7 | |
Completeness [%] | 99.9 | 99.2 | 100 |
Redundancy | 18.3 | 26.1 | 9.4 |
CC(1/2) | 0.999 | 0.377 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 10% PEG 8000, 1M NMe4Cl, 100 mM MOPS |