3SU9
E. Cloacae MURA in complex with UDP-N-acetylmuramic acid and covalent adduct of PEP with Cys115
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 93 |
Detector technology | CCD |
Collection date | 2010-04-14 |
Detector | RIGAKU SATURN 944+ |
Spacegroup name | I 2 3 |
Unit cell lengths | 138.600, 138.600, 138.600 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.600 - 2.200 |
R-factor | 0.162 |
Rwork | 0.162 |
R-free | 0.21000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3kqa |
RMSD bond length | 0.011 |
RMSD bond angle | 1.800 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | CNS (1.3) |
Refinement software | CNS (1.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.300 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.079 | 0.312 |
Number of reflections | 22499 | |
<I/σ(I)> | 33.1 | 5.7 |
Completeness [%] | 99.5 | 99.8 |
Redundancy | 12.3 | 8.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 20 mg/mL MurA, 25 mM HEPES, 100 mM Ammonium Acetate, 50 mM Bis-Tris, 12.5 % PEG 3350, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |