6IIX
The crystal structure of acyltransferase mutant, orf11*-W163A, in complex with octanoyl-CoA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL15A1 |
| Synchrotron site | NSRRC |
| Beamline | BL15A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-10-20 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 65 |
| Unit cell lengths | 132.536, 132.536, 48.598 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 1.730 |
| R-factor | 0.1908 |
| Rwork | 0.190 |
| R-free | 0.21233 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4mfl |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.443 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.790 |
| High resolution limit [Å] | 1.730 | 1.730 |
| Number of reflections | 51038 | 5049 |
| <I/σ(I)> | 27.1 | |
| Completeness [%] | 99.8 | |
| Redundancy | 5.3 | |
| CC(1/2) | 0.766 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M MES pH 6.3-6.5, 0.2M Ammonium Sulfate, 35% PEG 5000 MME |
