6P0L
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 | 65.115, 104.375, 55.593 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.049 - 1.300 |
R-factor | 0.1357 |
Rwork | 0.134 |
R-free | 0.16710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1u8z |
RMSD bond length | 0.010 |
RMSD bond angle | 1.055 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.050 | 1.330 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmeas | 0.093 | 1.331 |
Rpim | 0.035 | 0.519 |
Number of reflections | 46861 | 2521 |
<I/σ(I)> | 15.2 | 1.5 |
Completeness [%] | 99.9 | 99.6 |
Redundancy | 6.9 | 6.4 |
CC(1/2) | 0.999 | 0.658 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 0.2 M Calcium Acetate pH 5.5 18-20% PEG3350 |