4XZJ
Crystal structure of ADP-ribosyltransferase Vis in complex with NAD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2011-08-29 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54178 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.700, 52.000, 100.400 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.630 - 1.800 |
R-factor | 0.1767 |
Rwork | 0.175 |
R-free | 0.20540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4y1w |
RMSD bond length | 0.011 |
RMSD bond angle | 1.424 |
Data reduction software | XDS |
Phasing software | SHELX |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.044 | 0.180 |
Number of reflections | 23562 | |
<I/σ(I)> | 25.84 | 8.67 |
Completeness [%] | 94.7 | 91.8 |
Redundancy | 6.25 | 5.24 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 30% Jeffamine ED-2001, 0.1 M Hepes |