8OSO
GTPase HRAS in complex with Zn-cyclen under 500 MPa pressure
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE CRISTAL |
Synchrotron site | SOLEIL |
Beamline | CRISTAL |
Temperature [K] | 293 |
Detector technology | CCD |
Collection date | 2015-07-22 |
Detector | RAYONIX SX-165mm |
Wavelength(s) | 0.51035 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 38.612, 38.612, 159.814 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 32.730 - 2.500 |
R-factor | 0.2375 |
Rwork | 0.233 |
R-free | 0.28040 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.476 |
Data reduction software | XDS |
Data scaling software | SCALA (6.5.015) |
Phasing software | MOLREP (11.4.03) |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.460 | 2.640 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.196 | 0.918 |
Rmeas | 0.230 | 1.082 |
Rpim | 0.117 | 0.560 |
Total number of observations | 2360 | |
Number of reflections | 4948 | 678 |
<I/σ(I)> | 6.2 | 1.7 |
Completeness [%] | 95.1 | |
Redundancy | 3.5 | 3.5 |
CC(1/2) | 0.980 | 0.429 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 7.5 | 293 | 40 MM TRIS HCL, 10 MM MGCL2, 2 MM DTE, 26-30 % PEG-400 |