6P7G
The co-crystal structure of BRAF(V600E) with PHI1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-07-06 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.03324 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 95.780, 108.790, 126.380 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 82.450 - 2.650 |
R-factor | 0.249 |
Rwork | 0.248 |
R-free | 0.27900 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.515 |
Data reduction software | MOSFLM (7.2.1) |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER (2.7.17) |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 82.450 | 2.790 |
High resolution limit [Å] | 2.650 | 2.650 |
Rmerge | 0.966 | |
Number of reflections | 36800 | 5373 |
<I/σ(I)> | 3 | 0.8 |
Completeness [%] | 94.9 | 96.2 |
Redundancy | 2.9 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9 | 291 | 0.1 M CHES/NaOH, 1 M Sodium Citrate |