3OIT
Crystal structure of curcuminoid synthase CUS from Oryza sativa
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 95 |
Detector technology | CCD |
Collection date | 2010-02-07 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 1.00000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.780, 68.510, 211.720 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.000 |
R-factor | 0.1968 |
Rwork | 0.195 |
R-free | 0.22530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bi5 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.231 |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (refmac_5.5.0109) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.000 | 20.000 | 2.050 |
High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
Rmerge | 0.065 | 0.026 | 0.480 |
Rmeas | 0.027 | 0.507 | |
Number of reflections | 57647 | 667 | 4199 |
<I/σ(I)> | 22.48 | 125.1 | 5.1 |
Completeness [%] | 99.7 | 88.8 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 100mM Tris-HCl, 20% PEG 4000, 200mM NaCl, 6% 1,6-hexanediol, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |