5OVG
Ras guanine nucleotide exchange factor SOS1 (Rem-cdc25) in complex with small molecule inhibitor compound 18
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-06-25 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.91841 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 40.984, 85.671, 176.790 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.550 - 2.300 |
R-factor | 0.24411 |
Rwork | 0.241 |
R-free | 0.29696 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ii0 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.121 |
Data reduction software | XDS (Version March 1, 2015) |
Data scaling software | XDS (Version March 1, 2015) |
Phasing software | MOLREP (11.0.02) |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.550 | 2.440 |
High resolution limit [Å] | 2.300 | 2.300 |
Number of reflections | 28532 | 4516 |
<I/σ(I)> | 11.64 | 1.93 |
Completeness [%] | 99.4 | 99.1 |
Redundancy | 4.32 | 4.47 |
CC(1/2) | 0.997 | 0.832 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | Protein concentration 30.7 mg/ml. Protein buffer 25 Millimolar TRIS-HCL PH 7.5, 50 millimolar NaCl, 1 millimolar DTT. Reservoir 27% (v/v) ethylenglycol. Protein incubated with 2 MILLIMOLAR LIGAND prior to crystallization. |