4EII
Unliganded E. cloacae R91K MurA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 93 |
Detector technology | IMAGE PLATE |
Collection date | 2006-01-20 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.730, 71.980, 76.300 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.410 - 1.950 |
R-factor | 0.18 |
Rwork | 0.180 |
R-free | 0.23300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ejc |
RMSD bond length | 0.011 |
RMSD bond angle | 1.900 |
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 | 2.000 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.050 | 0.313 |
Number of reflections | 26931 | |
<I/σ(I)> | 32.7 | 5.6 |
Completeness [%] | 99.6 | 99.9 |
Redundancy | 6.6 | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 37.5 mg/mL MurA, 5 mM UNAG, 25 mM HEPES, pH 7.5, 50 mM MES, pH 6.1, 6.25% PEG20000, VAPOR DIFFUSION, HANGING DROP, temperature 291K |