1CHW
CHALCONE SYNTHASE FROM ALFALFA COMPLEXED WITH HEXANOYL-COA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | MACSCIENCE |
Temperature [K] | 105 |
Detector technology | IMAGE PLATE |
Collection date | 1998-09 |
Detector | MAC Science DIP-2000 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 97.814, 97.814, 130.463 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 70.710 - 1.900 |
R-factor | 0.201 * |
Rwork | 0.213 |
R-free | 0.29000 |
Structure solution method | OTHER |
Starting model (for MR) | 1bi5 |
RMSD bond length | 0.018 |
RMSD bond angle | 4.086 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CCP4 ((ARPP)) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 70.710 | 1.940 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.047 * | |
Number of reflections | 48429 | |
<I/σ(I)> | 7.6 | 0.95 |
Completeness [%] | 84.6 | 23.8 |
Redundancy | 1.81 | 0.284 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 6.5 | 4 * | THE CRYSTALS WERE OBTAINED OVERNIGHT AT 4 C HANGING-DROP VAPOR DIFFUSION METHOD. THE DROPLET CONSISTED ON 25 MGR/ML (FINAL CONCENTRATION) PROTEIN MIXED WITH THE RESERVOIR WHICH CONTAINED 2.4 M AMMONIUM SULFATE, 100 MM PIPES BUFFER (PH 6.5), IN THE PRESENCE (UP TO 5 MM) OR ABSENCE OF DTT REDUCING AGENT. CRYSTALS WERE STABILIZED IN 40% (V/V) PEG400, 100 MM PIPES AND 20 MM HEXANOYL-COA PRIOR TO FREEZING AT 105 K. |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 25 (mg/ml) | |
2 | 1 | reservoir | ammonium sulfate | 2.2-2.4 (M) | |
3 | 1 | reservoir | PIPES | 0.1 (0.1) |