4HFN
X-ray Crystal Structure of a Ternary Complex of Double Bond Reductase from Nicotiana tabacum
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-07-22 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.979 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 88.860, 149.860, 67.210 |
Unit cell angles | 90.00, 115.96, 90.00 |
Refinement procedure
Resolution | 37.470 - 2.100 |
R-factor | 0.17434 |
Rwork | 0.172 |
R-free | 0.22074 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3J3H |
RMSD bond length | 0.020 |
RMSD bond angle | 1.769 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 37.470 |
High resolution limit [Å] | 2.010 |
Number of reflections | 51397 |
Redundancy | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 293 | 100mM KH2PO4/citrate buffer pH 4.5 + 45% PEG 300, VAPOR DIFFUSION, SITTING DROP, temperature 293K |