7DP1
Crystal structure of FMN and NADPH-dependent nitroreductase NfnB mutant Y88A derived from sphigopyxis sp. strain HMH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
Synchrotron site | PAL/PLS |
Beamline | 7A (6B, 6C1) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2020-11-11 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.97934 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 90.825, 90.825, 102.225 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.904 - 2.003 |
R-factor | 0.20364580849 |
Rwork | 0.200 |
R-free | 0.25696 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2wzw |
RMSD bond length | 0.008 |
RMSD bond angle | 1.211 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | HKL-2000 |
Refinement software | PHENIX (1.9_1692) |
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 | 29391 | 2867 |
<I/σ(I)> | 19.44 | |
Completeness [%] | 99.9 | |
Redundancy | 14 | |
CC(1/2) | 0.996 | 0.537 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295 | 0.1M Tris pH7.0, 40% PEG300, 8% PEG 1000 |