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 |
