2VB8
beta-ketoacyl-ACP synthase I (KAS) from E. coli with bound inhibitor thiolactomycin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-07-08 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.139, 138.345, 211.968 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 119.520 - 1.520 |
| R-factor | 0.153 |
| Rwork | 0.151 |
| R-free | 0.18500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ek4 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.502 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | REFMAC (5.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.600 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.090 | 0.430 |
| Number of reflections | 515847 | |
| <I/σ(I)> | 14.2 | 3.51 |
| Completeness [%] | 95.8 | 78 |
| Redundancy | 3.1 | 2.68 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | CRYSTALLIZATION CONDITIONS: HANGING DROP AGAINST 3% PEG 400, 1.9 M AMMONIUM SULPHATE, 0.1 M TRIS PH 7.5; SOAK WITH 0.3MM LIGAND IN 2.3M AMMONIUM SULPHATE, 0.1M TRIS PH7.5, 3% DMSO |
