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) |