5UC5
Chalcone synthase from Malus domestica
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-12-05 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 118.819, 56.628, 111.490 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.990 - 2.102 |
R-factor | 0.168 |
Rwork | 0.166 |
R-free | 0.20920 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bi5 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.743 |
Data reduction software | iMOSFLM |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.9-1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.140 |
High resolution limit [Å] | 2.100 | 5.700 | 2.100 |
Rmerge | 0.092 | 0.044 | 0.496 |
Number of reflections | 42128 | ||
<I/σ(I)> | 11.9 | ||
Completeness [%] | 94.9 | 99.6 | 94.8 |
Redundancy | 4.8 | 5 | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 278 | Reservoir: Sodium-MOPSO (pH 7.0) 100mM, Ammonium Acetate 300mM, PEG8000 14%. Ratio of protein to reservoir= 1:1 |