1IKJ
1.27 A CRYSTAL STRUCTURE OF NITROPHORIN 4 FROM RHODNIUS PROLIXUS COMPLEXED WITH IMIDAZOLE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-02-02 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 70.180, 42.480, 52.960 |
| Unit cell angles | 90.00, 94.28, 90.00 |
Refinement procedure
| Resolution | 22.000 - 1.270 |
| R-factor | 0.127 |
| Rwork | 0.127 |
| R-free | 0.17300 |
| Starting model (for MR) | 1IKH |
| RMSD bond length | 0.011 |
| RMSD bond angle | 0.032 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 22.000 | 1.300 |
| High resolution limit [Å] | 1.220 | 1.270 |
| Rmerge | 0.032 | 0.065 |
| Number of reflections | 37957 | |
| <I/σ(I)> | 14 | 9.2 |
| Completeness [%] | 96.0 | 79 |
| Redundancy | 2.4 | 1.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 295 | PEG-4000, sodium citrate, pH 5.60, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
