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 |