3HRD
Crystal structure of nicotinate dehydrogenase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR591 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-07-26 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 97.069, 71.700, 214.485 |
| Unit cell angles | 90.00, 90.23, 90.00 |
Refinement procedure
| Resolution | 29.430 - 2.200 |
| R-factor | 0.224 |
| Rwork | 0.213 |
| R-free | 0.25100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rm6 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.098 | 0.532 |
| Number of reflections | 148377 | |
| <I/σ(I)> | 10.73 | 2.28 |
| Completeness [%] | 98.9 | 96.9 |
| Redundancy | 3.5 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 296 | PEG3350, Tris-HCl, NaNO3, glycerol, pH7.5, vapor diffusion, hanging drop, temperature 296K, VAPOR DIFFUSION, HANGING DROP |
