2NL9
Crystal structure of the Mcl-1:Bim BH3 complex
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-11-08 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9791, 0.9792, 0.9715 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 52.380, 70.080, 117.180 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.120 - 1.550 |
R-factor | 0.174 |
Rwork | 0.173 |
R-free | 0.20300 |
Structure solution method | MAD |
RMSD bond length | 0.015 |
RMSD bond angle | 1.386 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.550 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.067 | 0.503 |
Number of reflections | 29809 | |
<I/σ(I)> | 160.5 | |
Completeness [%] | 85.1 | 28.2 |
Redundancy | 10.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.75 | 298 | 0.2M zinc acetate, 0.2M imidazole, 2mM TCEP, pH 5.75, VAPOR DIFFUSION, HANGING DROP, temperature 298K |