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 |