5XI0
Crystal structure of FabV, a new class of enyl-acyl carrier protein reductase from Vibrio fischeri
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
Synchrotron site | PAL/PLS |
Beamline | 7A (6B, 6C1) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-10-04 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.23986 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 62.998, 109.175, 119.831 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.343 - 2.087 |
R-factor | 0.2094 |
Rwork | 0.206 |
R-free | 0.27190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3s8m |
RMSD bond length | 0.008 |
RMSD bond angle | 0.911 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.130 |
High resolution limit [Å] | 2.090 | 5.670 | 2.090 |
Rmerge | 0.094 | 0.054 | 0.367 |
Total number of observations | 443849 | ||
Number of reflections | 49667 | ||
<I/σ(I)> | 9.2 | ||
Completeness [%] | 98.6 | 99.1 | 81.2 |
Redundancy | 8.9 | 12.2 | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 295 | 0.1M Bis-tris Propane pH 5.5, 0.1M Sodium Fluoride, 20% (w/v) Polyethylene glycol 3350 |