1EQD
CRYSTAL STRUCTURE OF NITROPHORIN 4 COMPLEXED WITH CN
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR571 |
| Temperature [K] | 140 |
| Detector technology | DIFFRACTOMETER |
| Collection date | 1999-10-21 |
| Detector | ENRAF-NONIUS FAST |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 70.036, 42.652, 52.559 |
| Unit cell angles | 90.00, 94.18, 90.00 |
Refinement procedure
| Resolution | 11.000 - 1.600 |
| R-factor | 0.2 |
| Rwork | 0.200 |
| R-free | 0.26000 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.035 |
| Data reduction software | MADNESS |
| Data scaling software | SCALA |
| Phasing software | X-PLOR |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 11.000 | 1.700 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.050 | 0.160 |
| Total number of observations | 31409 * | |
| Number of reflections | 19393 * | |
| <I/σ(I)> | 11.5 | |
| Completeness [%] | 87.0 | 76 |
| Redundancy | 1.65 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | PEG 4000, sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
