6IWB
Crystal structure of a computationally designed protein (LD3) in complex with BCL-2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 11C |
Synchrotron site | PAL/PLS |
Beamline | 11C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-10-14 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 65 |
Unit cell lengths | 129.718, 129.718, 80.291 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.025 - 2.500 |
R-factor | 0.2408 |
Rwork | 0.239 |
R-free | 0.27490 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.768 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.440 |
High resolution limit [Å] | 2.400 | 6.510 | 2.400 |
Rmerge | 0.083 | 0.042 | 0.224 |
Rmeas | 0.086 | 0.044 | 0.257 |
Rpim | 0.022 | 0.010 | 0.119 |
Number of reflections | 25890 | 1556 | 616 |
<I/σ(I)> | 6.8 | ||
Completeness [%] | 85.6 | 98.6 | 41.6 |
Redundancy | 9.2 | 16.4 | 2.4 |
CC(1/2) | 1.000 | 0.724 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295.15 | 17% PEG2000, 0.1M Sodium Succinate (pH 5.5), 0.32M Ammonium Sulfate |