6UAB
Human Mcl-1 in complex with a modified unnatural Bim BH3 peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-12-10 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.97910 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 30.746, 56.560, 99.515 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.173 - 2.100 |
R-factor | 0.1951 |
Rwork | 0.190 |
R-free | 0.23990 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.451 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER (2.8.0) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 100.000 | 100.000 | 2.140 |
High resolution limit [Å] | 2.100 | 5.700 | 2.100 |
Rmerge | 0.161 | 0.085 | 0.478 |
Rmeas | 0.173 | 0.091 | 0.586 |
Rpim | 0.060 | 0.031 | 0.331 |
Number of reflections | 10371 | 617 | 419 |
<I/σ(I)> | 4.8 | ||
Completeness [%] | 96.7 | 98.7 | 80.1 |
Redundancy | 6.6 | 7.9 | 2.2 |
CC(1/2) | 0.995 | 0.708 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 1.4 M Na-citrate, pH 6.5 0.1 M HEPES, pH 7.5 |