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 |
