3KJ1
Mcl-1 in complex with Bim BH3 mutant I2dA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-10-24 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 53.066, 72.007, 117.845 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.885 - 1.945 |
R-factor | 0.188 |
Rwork | 0.187 |
R-free | 0.21300 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 0.995 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.020 |
High resolution limit [Å] | 1.950 | 4.200 | 1.950 |
Rmerge | 0.046 | 0.031 | 0.426 |
Number of reflections | 16418 | ||
<I/σ(I)> | 15.1 | ||
Completeness [%] | 96.9 | 99.1 | 79.5 |
Redundancy | 10.2 | 10.1 | 7.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 0.1 M Imidazole, 0.2 M Zinc Acetate, 16% PEG 400, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |