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. |