2NLA
Crystal structure of the Mcl-1:mNoxaB BH3 complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
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) | 0.9715 |
Spacegroup name | P 63 |
Unit cell lengths | 85.381, 85.381, 46.916 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 73.920 - 2.800 |
R-factor | 0.211 |
Rwork | 0.207 |
R-free | 0.29100 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.341 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (V. 1.3.1) |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.068 | 0.646 |
Number of reflections | 4938 | |
<I/σ(I)> | 13.2 | |
Completeness [%] | 99.9 | 100 |
Redundancy | 9 | 7.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 12% PEG 4K, 4% isopropanol, 5% dioxane, 0.1M tris-HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |