8FJI
Crystal structure of RalA in a covalent complex with SOF-367
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 4.2.2 |
Synchrotron site | ALS |
Beamline | 4.2.2 |
Temperature [K] | 100 |
Detector technology | CMOS |
Collection date | 2020-03-19 |
Detector | RDI CMOS_8M |
Wavelength(s) | 0.97625 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 64.767, 104.630, 55.823 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 55.070 - 1.480 |
R-factor | 0.1845 |
Rwork | 0.183 |
R-free | 0.20870 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.122 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.070 | 1.460 |
High resolution limit [Å] | 1.440 | 1.440 |
Rmeas | 0.091 | 1.085 |
Rpim | 0.035 | 0.465 |
Number of reflections | 32302 | 1559 |
<I/σ(I)> | 14.3 | 1.4 |
Completeness [%] | 92.9 | 91.3 |
Redundancy | 6.8 | 5.3 |
CC(1/2) | 0.999 | 0.596 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | Ca(Ac)2 0.1 M pH 5.5 PEG3350 18-22% |