5DOZ
Crystal structure of JamJ enoyl reductase (NADPH bound)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-04-19 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.0332 |
Spacegroup name | P 31 |
Unit cell lengths | 110.702, 110.702, 92.826 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.590 - 2.260 |
R-factor | 0.18234 |
Rwork | 0.180 |
R-free | 0.21718 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5dov |
RMSD bond length | 0.005 |
RMSD bond angle | 1.034 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.600 | |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.073 | 0.609 |
Number of reflections | 59866 | |
<I/σ(I)> | 12.3 | 1.4 |
Completeness [%] | 99.6 | |
Redundancy | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20% PEG 3350, 0.25 M sodium acetate, 100 mM Bis Tris propane pH 8.5 |