4QDE
Dcps in complex with covalent inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-11-03 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 101.370, 105.610, 137.130 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.680 - 2.900 |
| R-factor | 0.2109 |
| Rwork | 0.209 |
| R-free | 0.25140 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1xmm |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.190 |
| Data scaling software | autoPROC |
| Phasing software | BUSTER |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 81.510 | 3.240 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.211 | 0.808 |
| Number of reflections | 33336 | |
| <I/σ(I)> | 2.5 | |
| Completeness [%] | 99.9 | 99.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | 293 | 1:1 protein (4 mg/mL in 25 mM sodium chloride, 20 mM Tris-HCl, pH 8.0, 1 mM TCEP) to precipitant (23-25% PEG3350, 0.1 M potassium phosphate monobasic, 0.05 M sodium chloride, 26% glycerol), VAPOR DIFFUSION, HANGING DROP, temperature 293K |
