3SWQ
E. Cloacae MurA in complex with Enolpyruvyl-UNAG
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2010-04-13 |
| Detector | RIGAKU SATURN 944+ |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 138.300, 138.300, 138.300 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.560 - 1.830 |
| R-factor | 0.16 |
| Rwork | 0.160 |
| R-free | 0.20400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3su9 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.700 |
| 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 | 1.900 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Rmerge | 0.059 | 0.294 |
| Number of reflections | 38692 | |
| <I/σ(I)> | 25 | 5.8 |
| Completeness [%] | 99.7 | 99.9 |
| Redundancy | 15.5 | 9.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 291 | 20 mg/mL MurA, 5 mM UNAG, 25 mM HEPES, 100 mM Ammonium Acetate, 50 mM Bis-Tris, 12.5% PEG 3,350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
