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 |