3BM1
Crystal structure of a minimal nitroreductase ydjA from Escherichia coli K12 with and without FMN cofactor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 6C1 |
| Synchrotron site | PAL/PLS |
| Beamline | 6C1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-03-26 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.2000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.795, 77.645, 91.057 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.910 - 2.000 |
| R-factor | 0.1915 |
| Rwork | 0.192 |
| R-free | 0.26070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bm2 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.130 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 21567 | |
| Completeness [%] | 95.7 | 87.9 |
| Redundancy | 3.3 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 28%(w/v) polyethyleneglycol 8000, 0.1M NaCl, 0.1M imidazole pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291.0K |
