1NON
PyrR, the regulator of the pyrimidine biosynthetic operon in Bacillus caldolyticus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-01-30 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 193.600, 60.740, 59.207 |
| Unit cell angles | 90.00, 97.81, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.400 |
| Rwork | 0.192 |
| R-free | 0.25000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1a3c |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.200 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.500 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.035 | 0.190 |
| Number of reflections | 25768 | |
| <I/σ(I)> | 19.1 | 19.1 |
| Completeness [%] | 98.2 | 92 |
| Redundancy | 4 | 1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 298 | PEG 400, ammonium chloride, magnesium chloride, cacodylate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
