4RV2
Crystal Structure of (3R)-hydroxyacyl-ACP dehydratase HadAB hetero-dimer from Mycobacterium smegmatis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2014-09-12 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 4 3 2 |
Unit cell lengths | 132.368, 132.368, 132.368 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.730 - 2.700 |
R-factor | 0.2154 |
Rwork | 0.212 |
R-free | 0.28370 |
Structure solution method | MIR |
RMSD bond length | 0.012 |
RMSD bond angle | 1.564 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.20) |
Phasing software | SHARP |
Refinement software | REFMAC (5.7) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.732 | 19.732 | 2.850 |
High resolution limit [Å] | 2.699 | 8.540 | 2.700 |
Rmerge | 0.029 | 0.728 | |
Total number of observations | 14014 | 68257 | |
Number of reflections | 11408 | ||
<I/σ(I)> | 36.2 | 25 | 1.1 |
Completeness [%] | 99.7 | 92 | 99.6 |
Redundancy | 41.8 | 35.5 | 42.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 298 | 1.75 M (NH4)2SO4, 0.1 M HEPES, 2% PEG 400, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |