2JJY
Crystal structure of Francisella tularensis enoyl reductase (ftFabI) with bound NAD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X26C |
Synchrotron site | NSLS |
Beamline | X26C |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 96.006, 99.454, 111.032 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.320 - 2.900 |
R-factor | 0.206 |
Rwork | 0.202 |
R-free | 0.28100 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.551 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019 24/04/2001) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.320 | 3.000 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.180 | 0.580 |
Number of reflections | 24222 | |
<I/σ(I)> | 10.6 | 3.4 |
Completeness [%] | 99.9 | 99.8 |
Redundancy | 5.2 | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | PEG 3350, MG ACETATE., pH 8 |