2ED4
Crystal structure of flavin reductase HpaC complexed with FAD and NAD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL45XU |
Synchrotron site | SPring-8 |
Beamline | BL45XU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2002-10-21 |
Detector | RIGAKU RAXIS V |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 41.746, 43.655, 74.788 |
Unit cell angles | 90.00, 93.70, 90.00 |
Refinement procedure
Resolution | 41.660 - 1.850 |
Rwork | 0.177 |
R-free | 0.21300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | FAD containing form of HpaC |
RMSD bond length | 0.005 |
RMSD bond angle | 1.800 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.660 | 1.920 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.076 | 0.250 |
Number of reflections | 22966 | |
<I/σ(I)> | 15.2 | 7.4 |
Completeness [%] | 99.7 | 99.3 |
Redundancy | 3.3 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 20% PEG 1000, 10% PEG 8000, 10% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K |