3M5K
Crystal structure of Putative NADH dehydrogenase/NAD(P)H nitroreductase (BDI_1728) from Parabacteroides distasonis ATCC 8503 at 1.86 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-11-06 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91837,0.97946,0.97932 |
Spacegroup name | P 43 3 2 |
Unit cell lengths | 149.639, 149.639, 149.639 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.347 - 1.860 |
R-factor | 0.161 |
Rwork | 0.160 |
R-free | 0.17800 |
Structure solution method | MAD |
RMSD bond length | 0.016 |
RMSD bond angle | 1.434 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.347 | 29.347 | 1.930 |
High resolution limit [Å] | 1.860 | 4.000 | 1.860 |
Rmerge | 0.086 | 0.038 | 0.821 |
Number of reflections | 48462 | 9135 | 9448 |
<I/σ(I)> | 12.7 | 32.9 | 2.1 |
Completeness [%] | 99.8 | 99.4 | 99.7 |
Redundancy | 10.669 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.47 | 293 | 14.0000% polyethylene glycol 1000, 0.3000M sodium chloride, 0.1M Na/K phosphate pH 6.47, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K |