3PI7
Crystal structure of a putative NADPH:quinone reductase (mll3093) from Mesorhizobium loti at 1.71 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-12-02 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91837,0.97925,0.97864 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 140.301, 39.969, 56.173 |
Unit cell angles | 90.00, 90.34, 90.00 |
Refinement procedure
Resolution | 28.086 - 1.710 |
R-factor | 0.1724 |
Rwork | 0.170 |
R-free | 0.20880 |
Structure solution method | MAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.070 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | BUSTER-TNT (BUSTER 2.8.0) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.086 | 28.086 | 1.770 |
High resolution limit [Å] | 1.710 | 3.680 | 1.710 |
Rmerge | 0.070 | 0.026 | 0.550 |
Number of reflections | 33108 | 6232 | 6130 |
<I/σ(I)> | 9.01 | 22.9 | 1.9 |
Completeness [%] | 92.9 | 94 | 94.5 |
Redundancy | 3.64 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.76 | 293 | 0.7270M di-sodium hydrogen phosphate, 0.3360M di-potassium hydrogen phosphate, 0.1M sodium acetate pH 4.76, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K |