3NYW
Crystal Structure of a betaketoacyl-[ACP] reductase (FabG) from Bacteroides thetaiotaomicron
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-06-18 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.883, 105.715, 78.830 |
| Unit cell angles | 90.00, 98.31, 90.00 |
Refinement procedure
| Resolution | 45.830 - 2.160 |
| R-factor | 0.236 |
| Rwork | 0.236 |
| R-free | 0.26300 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| Data reduction software | DENZO |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXCD |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.240 |
| High resolution limit [Å] | 2.160 | 2.160 |
| Number of reflections | 51961 | |
| <I/σ(I)> | 24.2 | 21.7 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 7.1 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 298 | 0.15M DL-Malic acid pH 7.0, 15% w/v PEG 3,350, 10% w/v 1,6,Hexanediol, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
