1ADD
A PRE-TRANSITION STATE MIMIC OF AN ENZYME: X-RAY STRUCTURE OF ADENOSINE DEAMINASE WITH BOUND 1-DEAZA-ADENOSINE AND ZINC-ACTIVATED WATER
Experimental procedure
Spacegroup name | C 1 2 1 |
Unit cell lengths | 102.390, 94.280, 73.020 |
Unit cell angles | 90.00, 127.05, 90.00 |
Refinement procedure
Resolution | 12.000 * - 2.400 |
R-factor | 0.181 |
Rwork | 0.181 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.710 |
Phasing software | X-PLOR |
Refinement software | X-PLOR |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 12.000 * |
High resolution limit [Å] | 2.400 * |
Rmerge | 0.067 * |
Total number of observations | 63922 * |
Number of reflections | 20925 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 4.2 * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | ADA | 10 (mg/mL) | |
2 | 1 | drop | DAA | 0.05 (mM) | |
3 | 1 | drop | PEG6000 | 3 (%) | |
4 | 1 | drop | citrate | 50 (mM) | |
5 | 1 | reservoir | PEG6000 | 10.5 (%) | |
6 | 1 | reservoir | citrate | 50 (mM) |