4ZVN
Reduced quinone reductase 2 in complex with acridine orange
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2014-10-20 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 56.640, 82.860, 106.230 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.510 - 1.866 |
R-factor | 0.162 |
Rwork | 0.160 |
R-free | 0.19620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qr2 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.129 |
Data reduction software | MOSFLM (7.1.0) |
Data scaling software | SCALA (0.3.6) |
Phasing software | PHASER (2.5.6) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.510 | 19.510 | 1.900 |
High resolution limit [Å] | 1.860 | 8.920 | 1.860 |
Rmerge | 0.078 | 0.045 | 0.320 |
Rpim | 0.032 | 0.019 | 0.141 |
Total number of observations | 288908 | 2518 | 12364 |
Number of reflections | 42288 | ||
<I/σ(I)> | 15.9 | 27.9 | 4.3 |
Completeness [%] | 98.6 | 91.6 | 79.7 |
Redundancy | 6.8 | 6 | 5.6 |
CC(1/2) | 0.998 | 0.998 | 0.956 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 1.7M Ammonium sulfate, 0.1M Hepes |