2VBA
beta-ketoacyl-ACP synthase I (KAS) from E. coli with bound amino- thiazole inhibitor
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 | 2005-09-01 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.950, 139.480, 212.170 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.870 - 1.360 |
| R-factor | 0.121 |
| Rwork | 0.119 |
| R-free | 0.15100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ek4 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.581 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.450 |
| High resolution limit [Å] | 1.360 | 1.350 |
| Rmerge | 0.060 | 0.200 |
| Number of reflections | 685131 | |
| <I/σ(I)> | 13.5 | 6.2 |
| Completeness [%] | 92.3 | 72.9 |
| Redundancy | 3 | 2.7 |
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 0.01M LIGAND IN 30% PEG8000, 0.1M AMMONIUM SULPHATE, 0.1M TRIS PH7.5, 0.005M TCEP |
