1YLU
The structure of E. coli nitroreductase with bound acetate, crystal form 2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-11-11 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97626 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 155.661, 46.940, 53.658 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 53.450 - 2.000 |
| R-factor | 0.1467 |
| Rwork | 0.144 |
| R-free | 0.20312 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1icv |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.077 |
| 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] | 26.930 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 26207 | |
| <I/σ(I)> | 13.1 | 5.4 |
| Completeness [%] | 95.6 | 95.7 |
| Redundancy | 3 | 2.6 |
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 |
