1YLR
The structure of E.coli nitroreductase with bound acetate, crystal form 1
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 | 2000-09-19 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.934 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 57.580, 57.580, 263.180 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 56.250 - 1.700 |
| R-factor | 0.17135 |
| Rwork | 0.170 |
| R-free | 0.19775 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1icr |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.185 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | CNS |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.250 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 47753 | |
| <I/σ(I)> | 3.6 | 1.6 |
| Completeness [%] | 99.9 | 98.8 |
| Redundancy | 8 | 6.4 |
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 |
