1YKI
The structure of E. coli nitroreductase bound with the antibiotic nitrofurazone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-03-06 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.934 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 70.078, 56.466, 116.085 |
| Unit cell angles | 90.00, 103.10, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.700 |
| R-factor | 0.1449 |
| Rwork | 0.144 |
| R-free | 0.16685 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1icu |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.266 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | CNS |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 97110 | |
| <I/σ(I)> | 8.9 | 5.8 |
| Completeness [%] | 99.6 | 99.5 |
| Redundancy | 6.5 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 291 | PEG4000, ethylene glycol, nicotinic acid, sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
