6P0K
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 | 2019-03-22 |
Detector | RDI CMOS_8M |
Wavelength(s) | 0.97625 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 65.281, 104.924, 55.409 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.190 - 1.490 |
R-factor | 0.1318 |
Rwork | 0.130 |
R-free | 0.16410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1u8z |
RMSD bond length | 0.009 |
RMSD bond angle | 1.038 |
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] | 39.190 | 1.540 |
High resolution limit [Å] | 1.490 | 1.490 |
Rmeas | 0.088 | 1.602 |
Rpim | 0.033 | 0.593 |
Number of reflections | 31546 | 2688 |
<I/σ(I)> | 16.3 | 1.5 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.2 | 7.1 |
CC(1/2) | 0.728 | 0.728 |
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 |