1R0S
Crystal structure of ADP-ribosyl cyclase Glu179Ala mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE A1 |
Synchrotron site | CHESS |
Beamline | A1 |
Temperature [K] | 200 |
Wavelength(s) | 0.93 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 70.293, 58.349, 72.368 |
Unit cell angles | 90.00, 100.70, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.000 |
R-factor | 0.231 |
Rwork | 0.229 |
R-free | 0.26130 * |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 1.727 |
Data reduction software | DENZO |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | |
High resolution limit [Å] | 2.000 | 2.000 * |
Rmerge | 0.086 * | 0.255 * |
Number of reflections | 35252 | |
Completeness [%] | 99.7 * | 98.6 * |
Redundancy | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 7.5 | 18 * | 0.1 M Imidazole and 12-24 % PEG 4K, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 316K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | imidazole | 0.1 (M) | pH7.5 |
2 | 1 | reservoir | PEG4000 | 12-24 (%) |