3SWA
E. Cloacae MurA R120A complex with UNAG and covalent adduct of PEP with CYS115
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 93 |
Detector technology | IMAGE PLATE |
Collection date | 2006-05-14 |
Detector | RIGAKU RAXIS IV++ |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 62.060, 92.260, 71.520 |
Unit cell angles | 90.00, 102.72, 90.00 |
Refinement procedure
Resolution | 19.800 - 1.900 |
R-factor | 0.175 |
Rwork | 0.175 |
R-free | 0.20100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ejc |
RMSD bond length | 0.010 |
RMSD bond angle | 1.700 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.950 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.076 | 0.306 |
Number of reflections | 59238 | |
<I/σ(I)> | 15.8 | 3.9 |
Completeness [%] | 95.5 | 92.7 |
Redundancy | 3.1 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 60 mg/mL MurA, 5 mM UNAG, 5 mM PEP, 25 mM TRIS, 50 mM HEPES, 7 % 2-propanol, 10 % PEG 4000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |