4X9K
Beta-ketoacyl-acyl carrier protein synthase III-2 (FabH2)(C113A) from Vibrio cholerae
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 | 2013-10-09 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9786 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 85.459, 61.521, 69.676 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.610 |
| R-factor | 0.153 |
| Rwork | 0.152 |
| R-free | 0.17630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4wzu |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.311 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.640 |
| High resolution limit [Å] | 1.610 | 4.370 | 1.610 |
| Rmerge | 0.068 | 0.040 | 0.376 |
| Rmeas | 0.075 | 0.045 | 0.430 |
| Rpim | 0.032 | 0.020 | 0.205 |
| Total number of observations | 237520 | ||
| Number of reflections | 47520 | ||
| <I/σ(I)> | 11.4 | ||
| Completeness [%] | 98.3 | 94.3 | 87.3 |
| Redundancy | 5 | 5 | 4 |
| CC(1/2) | 0.997 | 0.905 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 289 | 0.2M Sodium malonate pH 7.0,20% (w/v) PEG 3350 |
