3E60
Crystal structure of 3-oxoacyl-(acyl carrier protein) synthase II from Bartonella henselae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-08-01 |
| Detector | MARMOSAIC 300 mm CCD |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 91.339, 91.339, 251.177 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.950 |
| R-factor | 0.166 |
| Rwork | 0.165 |
| R-free | 0.18600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1W0I WITH INSERTIONS REMOVED |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.095 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (refmac_5.4.0067) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.060 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.123 | 0.578 |
| Number of reflections | 78307 | |
| <I/σ(I)> | 13.4 | 3.8 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.3 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 289 | ProPlex condition B12, 15% PEG 4000, 0.1 M MgCl2, 0.1 M Hepes-NaOH pH 7.0, 0.4/0.4uL drops, 6.5 mg/mL protein, Crystal ID 200083b12, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
