4E7C
E. cloacae MurA in complex with UTP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2010-05-28 |
| Detector | RIGAKU SATURN 944+ |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 80.940, 101.270, 213.670 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.760 - 2.100 |
| R-factor | 0.199 |
| Rwork | 0.199 |
| R-free | 0.25000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3spb |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.800 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | CNS (1.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.200 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.107 | 0.381 |
| Number of reflections | 100459 | |
| <I/σ(I)> | 13.7 | 4.1 |
| Completeness [%] | 97.3 | 96.5 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 20 mg/mL MurA, 5 mM UTP, 25 mM HEPES, pH 7.5, 0.1 M ammonium sulfate, 50 mM Bis-Tris, pH 5.5, 12.5% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
