4X9O
Beta-ketoacyl-ACP synthase III -2 (FabH2) (C113A) from Vibrio Cholerae soaked with octanoyl-CoA: conformational changes without clearly bound substrate
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 | 2013-11-16 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9786 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.705, 84.246, 134.883 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.000 - 2.300 |
| R-factor | 0.197 |
| Rwork | 0.195 |
| R-free | 0.23250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4wzu |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.432 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.007) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 28.000 | 28.000 | 2.340 |
| High resolution limit [Å] | 2.300 | 6.220 | 2.300 |
| Rmerge | 0.094 | 0.045 | 0.701 |
| Rmeas | 0.107 | 0.051 | 0.796 |
| Rpim | 0.049 | 0.024 | 0.369 |
| Total number of observations | 133064 | ||
| Number of reflections | 30415 | ||
| <I/σ(I)> | 8 | ||
| Completeness [%] | 96.4 | 91.3 | 97.2 |
| Redundancy | 4.4 | 4.2 | 4.3 |
| CC(1/2) | 0.997 | 0.823 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 289 | 0.18M Sodium malonate pH 7.0,22% (w/v) PEG 3350 |
