3FW1
Quinone Reductase 2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 100 |
Detector technology | AREA DETECTOR |
Collection date | 2007-07-25 |
Detector | ADSC QUANTUM Q315r |
Wavelength(s) | 1.2547 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 100.337, 100.337, 104.858 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.864 - 1.750 |
R-factor | 0.1515 |
Rwork | 0.150 |
R-free | 0.18170 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qr2 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.093 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.2.25) |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 31.864 | 36.250 | 1.840 |
High resolution limit [Å] | 1.750 | 5.530 | 1.750 |
Rmerge | 0.083 | 0.039 | 0.559 |
Number of reflections | 27265 | ||
<I/σ(I)> | 14.4 | 1.3 | |
Completeness [%] | 100.0 | 99.4 | 100 |
Redundancy | 9.2 | 8.7 | 9.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 293 | 100 mM MES pH 6.0-6.2, 0.015 mM FAD, 62% MPD, vapor diffusion, hanging drop, temperature 293K |