3KQA
MurA dead-end complex with terreic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 93 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-01-15 |
| Detector | RIGAKU RAXIS HTC |
| Wavelength(s) | 1.542 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 115.270, 115.270, 277.400 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 2.250 |
| R-factor | 0.195 |
| Rwork | 0.195 |
| R-free | 0.25400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ejc |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 2.300 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.049 | 0.175 |
| Number of reflections | 88863 | |
| <I/σ(I)> | 23.4 | 7.9 |
| Completeness [%] | 99.4 | 100 |
| Redundancy | 5.2 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 292 | 100 mM CaCl2, 100 mM HEPES, pH 7.5, 30% PEG 400, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
