3OYT
1.84 Angstrom resolution crystal structure of 3-oxoacyl-(acyl carrier protein) synthase I (fabB) from Yersinia pestis CO92
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-07-31 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97856 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 109.649, 114.613, 59.157 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.580 - 1.840 |
R-factor | 0.15727 |
Rwork | 0.155 |
R-free | 0.19294 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | SAD model of the data set collected on 21-ID-G |
RMSD bond length | 0.014 |
RMSD bond angle | 1.659 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.880 |
High resolution limit [Å] | 1.840 | 1.840 |
Rmerge | 0.127 | 0.592 |
Number of reflections | 64383 | |
<I/σ(I)> | 13.13 | 2.55 |
Completeness [%] | 99.6 | 97.3 |
Redundancy | 5.7 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | Crystallization condition: 20%PEG 8K, 0.05M K dihydrogen Phosphate. Paratone-N was used as cryoprotectant, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | Crystallization condition: 20%PEG 8K, 0.05M K dihydrogen Phosphate. Paratone-N was used as cryoprotectant, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |