4HFJ
X-ray Crystal Structure of a 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 | 2011-01-01 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 88.570, 148.740, 67.730 |
| Unit cell angles | 90.00, 115.59, 90.00 |
Refinement procedure
| Resolution | 42.130 - 2.000 |
| R-factor | 0.18455 |
| Rwork | 0.182 |
| R-free | 0.22737 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3J3H |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.541 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 42.130 |
| High resolution limit [Å] | 1.940 |
| Rmerge | 0.055 |
| Number of reflections | 57956 |
| <I/σ(I)> | 15.5 |
| Redundancy | 4.8 |
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 |
