4C13
x-ray crystal structure of Staphylococcus aureus MurE with UDP-MurNAc- Ala-Glu-Lys
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | Xenocs GeniX 3D Cu HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2012-01-11 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 157.820, 54.030, 70.970 |
| Unit cell angles | 90.00, 92.02, 90.00 |
Refinement procedure
| Resolution | 78.860 - 1.900 |
| R-factor | 0.19798 |
| Rwork | 0.196 |
| R-free | 0.24078 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.724 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.700 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.080 | 0.440 |
| Number of reflections | 44765 | |
| <I/σ(I)> | 8.8 | 2.7 |
| Completeness [%] | 94.9 | 93.1 |
| Redundancy | 3.7 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MORPHEUS SCREEN CONDITION C5 (0.1 M NA HEPES/MOPS PH 7.5, 0.09 M NITRATE PHOSPHATE SULPHATE MIX, 30 % (W/V) PEG550MME/PEG20K MIX) |
