3LRF
Crystal structure of beta-ketoacyl synthase from brucella melitensis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-02-09 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 77.480, 83.270, 72.870 |
Unit cell angles | 90.00, 120.97, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.600 |
R-factor | 0.13 |
Rwork | 0.129 |
R-free | 0.15800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dd8 modified with CCP4 program CHAINSAW |
RMSD bond length | 0.015 |
RMSD bond angle | 1.468 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.640 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.039 | 0.327 |
Number of reflections | 51415 | |
<I/σ(I)> | 34.19 | 4.9 |
Completeness [%] | 98.1 | 91.8 |
Redundancy | 8.1 | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 290 | MD PACT SCREEN, H12: 20% PEG 3350, 100MM BISTRISPROPANE PH 8.5, 200MM NA-MALONATE; BRABA.00113.A AT 22.9MG/ML, VAPOR DIFFUSION, SITTING DROP, temperature 290K |