4DOK
Crystal structure of Arabidopsis thaliana chalcone-isomerase like protein At5g05270 (AtCHIL)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-04-18 |
Detector | ADSC Quantum Q315 |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 115.997, 65.869, 70.245 |
Unit cell angles | 90.00, 117.15, 90.00 |
Refinement procedure
Resolution | 37.222 - 1.700 |
Rwork | 0.192 |
R-free | 0.21900 |
Structure solution method | SAD, MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 1.232 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.2.21) |
Phasing software | MOLREP |
Refinement software | CNS |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 37.222 | 37.222 | 1.740 |
High resolution limit [Å] | 1.650 | 5.220 | 1.650 |
Rmerge | 0.062 | 0.033 | 0.451 |
Total number of observations | 7073 | 16373 | |
Number of reflections | 49989 | ||
<I/σ(I)> | 11.8 | 14.2 | 1.5 |
Completeness [%] | 88.1 | 98.8 | 77.4 |
Redundancy | 3.1 | 3.8 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 0.1 M sodium TAPS, 28% (w/v) PEG 8000, 0.2 M calcium acetate, 2 mM dithiothreitol, pH 8.5, vapor diffusion, hanging drop, temperature 277K |