4XOX
Structure of beta-ketoacyl-ACP synthase I (FabB) from Vibrio Cholerae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-03-06 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.97927 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.756, 88.654, 167.258 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.000 - 2.010 |
| R-factor | 0.1503 |
| Rwork | 0.149 |
| R-free | 0.17670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3oyt |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.591 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 27.000 | 27.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 5.410 | 2.000 |
| Rmerge | 0.050 | 0.034 | 0.134 |
| Rmeas | 0.055 | 0.039 | 0.155 |
| Rpim | 0.024 | 0.017 | 0.077 |
| Total number of observations | 254989 | ||
| Number of reflections | 51875 | ||
| <I/σ(I)> | 16.3 | ||
| Completeness [%] | 94.3 | 97.5 | 79 |
| Redundancy | 4.9 | 5.2 | 3.1 |
| CC(1/2) | 0.993 | 0.970 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 289 | 1.6 M Ammonium citrate |
