3EHH
Crystal structure of DesKC-H188V in complex with ADP
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-01-31 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9793, 0.9795, 0.9756 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 34.743, 124.050, 138.303 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.100 |
| R-factor | 0.195 |
| Rwork | 0.193 |
| R-free | 0.23200 |
| Structure solution method | MAD |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.743 |
| Data scaling software | SCALA (3.2.25) |
| Phasing software | SHARP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 41.345 | 41.350 | 2.210 |
| High resolution limit [Å] | 2.097 | 6.640 | 2.100 |
| Rmerge | 0.106 | 0.083 | 0.373 |
| Total number of observations | 20087 | 72851 | |
| Number of reflections | 35284 | ||
| <I/σ(I)> | 4.961 | 6.2 | 1.8 |
| Completeness [%] | 97.8 | 95.7 | 96.5 |
| Redundancy | 19.8 | 16.2 | 14.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 291 | PEG3350, CaCl2, ADP, pH 9, vapor diffusion, hanging drop, temperature 291K |
