5O2S
Human KRAS in complex with darpin K27
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-01-23 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 65 |
Unit cell lengths | 197.140, 197.140, 84.610 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 98.570 - 3.220 |
R-factor | 0.20264 |
Rwork | 0.201 |
R-free | 0.23537 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 1.982 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 98.570 | 3.300 |
High resolution limit [Å] | 3.220 | 3.220 |
Rmerge | 0.362 | 0.965 |
Number of reflections | 30646 | 2258 |
<I/σ(I)> | 7.8 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 10.1 | 9.9 |
CC(1/2) | 0.988 | 0.562 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 30% (w/v) PEG-MME 2000, 200mM ammonium sulphate, 100mM sodium citrate pH 5.6 |