8X62
crystal structure of human Mcl-1 kinase domain in complex with RM1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CAMD BEAMLINE GCPCC |
| Synchrotron site | CAMD |
| Beamline | GCPCC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-04-01 |
| Detector | DECTRIS PILATUS 300K |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.761, 56.011, 66.097 |
| Unit cell angles | 90.00, 112.77, 90.00 |
Refinement procedure
| Resolution | 32.400 - 2.803 |
| R-factor | 0.255339728218 |
| Rwork | 0.255 |
| R-free | 0.28814 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.756 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASES |
| Refinement software | PHENIX (1.9_1692+SVN) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.400 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Number of reflections | 8826 | |
| <I/σ(I)> | 7.89 | |
| Completeness [%] | 99.6 | |
| Redundancy | 3.3 | |
| CC(1/2) | 0.948 | 0.948 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 0.1M Sodium citrate tribasic dihydrate (pH 5.5-6.5), 18% (v/v) 2-propanol and 13~20% (w/v) PEG 4000. |
