4DGG
c-SRC kinase domain in complex with RM-1-176
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2010-12-09 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 |
Unit cell lengths | 42.170, 63.480, 74.000 |
Unit cell angles | 78.73, 88.48, 89.93 |
Refinement procedure
Resolution | 72.550 - 2.650 |
R-factor | 0.2102 |
Rwork | 0.208 |
R-free | 0.25180 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.304 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.20) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 52.598 | 52.598 | 2.790 |
High resolution limit [Å] | 2.650 | 8.380 | 2.650 |
Rmerge | 0.010 | 0.010 | |
Total number of observations | 2463 | 8583 | |
Number of reflections | 17677 | ||
<I/σ(I)> | 6.2 | 9.3 | 0.7 |
Completeness [%] | 81.0 | 97 | 72.9 |
Redundancy | 3.8 | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 6% PEG 20000, 100 mM MES pH 6.5, 2.0 mM RM-1-176 in 10% DMSO, vapor diffusion, sitting drop, temperature 298K |