1QF4
DESIGN, SYNTHESIS, AND X-RAY CRYSTAL STRUCTURE OF AN ENZYME BOUND BISUBSTRATE HYBRID INHIBITOR OF ADENYLOSUCCINATE SYNTHETASE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM1A |
Synchrotron site | ESRF |
Beamline | BM1A |
Temperature [K] | 287 |
Detector technology | IMAGE PLATE |
Collection date | 1996-11-15 |
Detector | MARRESEARCH |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 81.520, 81.520, 158.460 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 6.000 - 2.200 |
Rwork | 0.194 |
R-free | 0.24700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1juy |
RMSD bond length | 0.008 |
RMSD bond angle | 23.400 * |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | AMoRE |
Refinement software | X-PLOR (98) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 8.000 |
High resolution limit [Å] | 2.200 |
Rmerge | 0.086 |
Number of reflections | 27564 |
Completeness [%] | 88.6 |
Redundancy | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | unknown * | 6 | pH 6.0 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | cacodylate | 0.1 (M) | |
2 | 1 | 1 | magnesium acetate | 0.2 (M) | |
3 | 1 | 1 | PEG6000 | 16 (%) |