1CSS
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 | AREA DETECTOR |
Collection date | 1994-12-15 |
Detector | XUONG-HAMLIN MULTIWIRE |
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 | 0.165 |
RMSD bond length | 0.014 |
RMSD bond angle | 2.800 |
Refinement software | TNT |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 * | |
High resolution limit [Å] | 1.700 * | 1.700 * |
Rmerge | 0.044 | |
Total number of observations | 77964 * | |
Number of reflections | 44220 * | |
Completeness [%] | 86.0 * | 74 * |
Redundancy | 1.8 |
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) |