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 |
