1CSR
Alpha-fluoro acid and alpha-fluoro amide analogs of acetyl-coa as inhibitors of of citrate synthase: effect of pka matching on binding affinity and hydrogen bond length
Experimental procedure
Detector technology | IMAGE PLATE |
Collection date | 1994-12-15 |
Detector | RIGAKU RAXIS II |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 104.390, 78.430, 58.470 |
Unit cell angles | 90.00, 78.86, 90.00 |
Refinement procedure
Resolution | 25.000 - 1.700 |
R-factor | 0.179 |
RMSD bond length | 0.012 |
RMSD bond angle | 2.500 |
Data reduction software | R-AXIS |
Refinement software | TNT |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 * | |
High resolution limit [Å] | 1.700 * | 1.700 * |
Rmerge | 0.077 | |
Total number of observations | 67827 * | |
Number of reflections | 38748 * | |
Completeness [%] | 75.0 * | 52 * |
Redundancy | 1.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 6 * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | enzyme | 0.2 (mM) | |
2 | 1 | drop | citrate | 0.5 (M) |