7U5G
ACS122 Fab
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-1 |
Synchrotron site | SSRL |
Beamline | BL12-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-05-21 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 64.402, 70.445, 97.324 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.220 - 1.840 |
R-factor | 0.2234 |
Rwork | 0.222 |
R-free | 0.25640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5f7e |
RMSD bond length | 0.017 |
RMSD bond angle | 1.286 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.220 | 1.880 |
High resolution limit [Å] | 1.840 | 1.850 |
Rmerge | 0.186 | 1.010 |
Rmeas | 0.195 | 1.160 |
Rpim | 0.056 | 0.570 |
Number of reflections | 39554 | 1817 |
<I/σ(I)> | 12.1 | |
Completeness [%] | 99.4 | |
Redundancy | 11.5 | |
CC(1/2) | 0.760 | 0.350 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 0.1M of Tris (pH 8.5) and 55%(v/v) 2-methyl-2,4-pentanediol |