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 |