5J8D
Structure of nitroreductase from E. cloacae complexed with nicotinic acid adenine dinucleotide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 115 |
| Detector technology | CCD |
| Collection date | 2003-01-03 |
| Detector | CUSTOM-MADE |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.380, 113.140, 80.700 |
| Unit cell angles | 90.00, 92.59, 90.00 |
Refinement procedure
| Resolution | 19.842 - 1.850 |
| R-factor | 0.178 |
| Rwork | 0.175 |
| R-free | 0.21240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1kqc |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.653 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 19.842 |
| High resolution limit [Å] | 1.850 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 278 | 100 mM homopipes (pH 4.8), 50 mM sodium acetate and 15% w/v polyethylene glycol 4000. Protein at 4.75 mg/ml initial concentration in 10 mM HEPES (pH 7.0) and 50 mM KCl. |
