5GWO
Crystal structure of RCAR3:PP2C S265F/I267M with (+)-ABA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 5C (4A) |
Synchrotron site | PAL/PLS |
Beamline | 5C (4A) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-03-22 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 |
Unit cell lengths | 46.472, 79.253, 80.288 |
Unit cell angles | 81.63, 87.08, 73.98 |
Refinement procedure
Resolution | 37.729 - 2.816 |
R-factor | 0.1895 |
Rwork | 0.185 |
R-free | 0.24270 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3rt0 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.937 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.729 | 2.917 |
High resolution limit [Å] | 2.816 | 2.816 |
Rmerge | 0.107 | |
Number of reflections | 25506 | |
<I/σ(I)> | 13.54 | |
Completeness [%] | 97.0 | |
Redundancy | 3.2 | |
CC(1/2) | 0.993 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295 | PEG 8000, MES pH 6.0, magnesium acetate, glycerol |