1FP1
CRYSTAL STRUCTURE ANALYSIS OF CHALCONE O-METHYLTRANSFERASE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 105 |
Detector technology | IMAGE PLATE |
Collection date | 2000-03-31 |
Detector | MARRESEARCH |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 125.119, 53.793, 73.390 |
Unit cell angles | 90.00, 124.92, 90.00 |
Refinement procedure
Resolution | 36.690 - 1.820 |
R-factor | 0.226 |
Rwork | 0.226 |
R-free | 0.26300 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.200 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 99.000 | 1.850 |
High resolution limit [Å] | 1.820 | 1.820 |
Rmerge | 0.050 | 0.660 |
Total number of observations | 94322 * | |
Number of reflections | 32682 | |
<I/σ(I)> | 25.6 | |
Completeness [%] | 90.6 | 48 * |
Redundancy | 2.88 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | PEG 8000, ammonium acetate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 4K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG8000 | 12 (%(w/v)) | |
2 | 1 | reservoir | HEPES | 0.05 (M) | |
3 | 1 | reservoir | ammonium acetate | 0.3 (M) | |
4 | 1 | reservoir | dithiothreitol | 2 (mM) |