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 |
