7UWT
Structure of Oxygen-Insensitive NAD(P)H-dependent Nitroreductase NfsB_Vv F70A/F108Y (NTR 2.0) in complex with FMN at 1.85 Angstroms resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-06-08 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 68.430, 137.360, 107.040 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 68.680 - 1.850 |
| R-factor | 0.16628 |
| Rwork | 0.165 |
| R-free | 0.19625 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ds7 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.701 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.680 | 1.890 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.120 | 0.792 |
| Number of reflections | 43344 | 2625 |
| <I/σ(I)> | 18.3 | 3.7 |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 14.4 | 14.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291.15 | Sodium acetate trihydrate pH 4.5, PEG 300 |
