4XZK
Crystal structure of ADP-ribosyltransferase Vis in complex with agmatine
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 | 2012-07-19 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54178 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 47.840, 52.090, 102.870 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.800 |
R-factor | 0.1954 |
Rwork | 0.194 |
R-free | 0.22130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4y1w |
RMSD bond length | 0.016 |
RMSD bond angle | 1.624 |
Data reduction software | XDS |
Phasing software | PHASER (2.5.1) |
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 | 0.051 | 0.399 |
Number of reflections | 24543 | |
<I/σ(I)> | 26.69 | 4.28 |
Completeness [%] | 99.8 | 100 |
Redundancy | 6.94 | 6.86 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 30% Jeffamine ED-2001, 0.1 M Hepes |