6P0I
Crystal structure of GDP-bound human RalA in a covalent complex with aryl sulfonyl fluoride compounds.
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 | 2019-02-02 |
Detector | RDI CMOS_8M |
Wavelength(s) | 1.00003 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 64.850, 104.330, 55.240 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.000 - 1.180 |
R-factor | 0.1265 |
Rwork | 0.125 |
R-free | 0.14720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1u8z |
RMSD bond length | 0.013 |
RMSD bond angle | 1.181 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.15_3459) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.000 | 1.200 |
High resolution limit [Å] | 1.180 | 1.180 |
Rmeas | 0.048 | 0.909 |
Rpim | 0.015 | 0.419 |
Number of reflections | 61827 | 2645 |
<I/σ(I)> | 22.7 | 1.6 |
Completeness [%] | 100.0 | 100 |
Redundancy | 8.1 | 4.7 |
CC(1/2) | 1.000 | 0.681 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 0.2 M Calcium Acetate pH 5.5, 18-22% PEG3350. |