3ISS
Crystal structure of enolpyruvyl-UDP-GlcNAc synthase (MurA):UDP-N-acetylmuramic acid:phosphite from Escherichia coli
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X8C |
Synchrotron site | NSLS |
Beamline | X8C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-11-02 |
Detector | ADSC QUANTUM 4r |
Wavelength(s) | 1.1 |
Spacegroup name | P 1 |
Unit cell lengths | 84.510, 120.910, 139.730 |
Unit cell angles | 111.52, 104.44, 90.19 |
Refinement procedure
Resolution | 47.478 - 2.500 |
R-factor | 0.2231 |
Rwork | 0.222 |
R-free | 0.25370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1a2n |
RMSD bond length | 0.011 |
RMSD bond angle | 1.222 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.480 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.117 | 0.435 |
Number of reflections | 167352 | |
<I/σ(I)> | 7 | 2.9 |
Completeness [%] | 97.6 | 97.3 |
Redundancy | 4.15 | 4.18 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293.15 | 0.5 mM sodium phosphite, 1.25 mM UDP-MurNAc, 0.1 M sodium MES, 0.2 M ammonium sulfate, 27% polyethylene glycol 5000 monomethyl ether, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K |