6VJG
Csx3-I222 Crystal Form at 1.8 Angstrom Resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-10-23 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.979 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 53.450, 61.540, 70.111 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.250 - 1.800 |
R-factor | 0.1902 |
Rwork | 0.187 |
R-free | 0.21600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3wzg |
RMSD bond length | 0.006 |
RMSD bond angle | 0.814 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.290 | 1.830 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.034 | 0.439 |
Rmeas | 0.071 | |
Rpim | 0.032 | |
Number of reflections | 10996 | 510 |
<I/σ(I)> | 27.305 | 2.87 |
Completeness [%] | 98.9 | 96.4 |
Redundancy | 4.8 | 4.1 |
CC(1/2) | 0.999 | 0.917 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 295 | 45% 2-methyl-2,4-pentanediol, 0.1 M Tris pH 8.5, 0.2 M Ammonium Phosphate Monobasic |