7EAG
Crystal structure of the RAGATH-18 k-turn
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-02-02 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9119 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 62.769, 74.908, 136.595 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 65.680 - 2.500 |
R-factor | 0.2202 |
Rwork | 0.218 |
R-free | 0.27460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4cs1 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.591 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 65.680 | 2.440 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.044 | 1.500 |
Rpim | 0.019 | 0.717 |
Number of reflections | 12955 | 637 |
<I/σ(I)> | 20.2 | |
Completeness [%] | 99.9 | 100 |
Redundancy | 6.3 | 6.4 |
CC(1/2) | 0.999 | 0.666 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 290 | 0.2 M Ammonium Acetate, 0.1 M tri-Sodium Citrate dihydrate pH 5.6, 30 % v/v 2-Methyl-2,4-pentanediol |