3KZU
Crystal structure of 3-oxoacyl-(acyl carrier protein) synthase II from Brucella melitensis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-11-19 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979464 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 118.020, 62.320, 177.720 |
| Unit cell angles | 90.00, 109.18, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.750 |
| R-factor | 0.15 |
| Rwork | 0.148 |
| R-free | 0.18100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3e60 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.343 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.800 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.050 | 0.285 |
| Number of reflections | 119229 | 8234 |
| <I/σ(I)> | 21.32 | 4.4 |
| Completeness [%] | 96.7 | 90.5 |
| Redundancy | 4.5 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | Hampton CSHT condition B5: 0.2 M lithium sulfate, 0.1 M Tris pH 8.5, 30% w/v PEG 4000, 25% ethylene glycol as cryo-protectant, 51.0 mg/mL protein, crystal tracking ID 205856b5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
