2J3R
The crystal structure of the bet3-trs31 heterodimer.
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] | 113 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 83.492, 93.348, 60.988 |
Unit cell angles | 90.00, 92.41, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.600 |
R-factor | 0.22 |
Rwork | 0.220 |
R-free | 0.25790 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.225 |
Data scaling software | HKL-2000 |
Phasing software | SOLVE |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | |
High resolution limit [Å] | 2.560 | 2.560 |
Rmerge | 0.040 | 0.110 |
Number of reflections | 14269 | |
<I/σ(I)> | 53.2 | 10.5 |
Completeness [%] | 93.2 | 78.5 |
Redundancy | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 0.26 M AMMONIUM NITRATE AND 14% (W/V) POLYETHYLENE GLYCOL MONOMETHYL ETHER 5000, pH 8.00 |