1FPQ
CRYSTAL STRUCTURE ANALYSIS OF SELENOMETHIONINE SUBSTITUTED CHALCONE O-METHYLTRANSFERASE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 105 |
Detector technology | CCD |
Collection date | 1999-12-12 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 125.520, 53.470, 73.600 |
Unit cell angles | 90.00, 124.62, 90.00 |
Refinement procedure
Resolution | 32.950 - 2.000 |
R-factor | 0.247 |
Rwork | 0.247 |
R-free | 0.29500 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.300 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHARP |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 99.000 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.040 | 0.205 |
Total number of observations | 97770 * | |
Number of reflections | 49336 * | |
<I/σ(I)> | 20 | |
Completeness [%] | 98.0 | 81 |
Redundancy | 6.9 | 1.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 4 * | PEG 8000, ammonium acetate, DTT, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 4 * | PEG 8000, ammonium acetate, DTT, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 4 * | PEG 8000, ammonium acetate, DTT, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 4 * | PEG 8000, ammonium acetate, DTT, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
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) |