1X77
Crystal structure of a NAD(P)H-dependent FMN reductase complexed with FMN
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-07-29 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.473, 65.704, 117.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.890 - 2.700 |
| R-factor | 0.219 |
| Rwork | 0.219 |
| R-free | 0.28200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rtt |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.400 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.790 |
| High resolution limit [Å] | 2.690 | 2.690 |
| Rmerge | 0.070 | 0.310 |
| Number of reflections | 13038 | |
| <I/σ(I)> | 12.2 | |
| Completeness [%] | 95.2 | 99.9 |
| Redundancy | 4.3 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | PEG 8000, Calcium acetate, Cacodylate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
