5C7A
Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 7
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-04-10 |
Detector | RIGAKU SATURN 70 |
Wavelength(s) | 1.54 |
Spacegroup name | P 41 2 2 |
Unit cell lengths | 71.401, 71.401, 105.242 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 59.080 - 2.360 |
R-factor | 0.22141 |
Rwork | 0.219 |
R-free | 0.26442 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.465 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 59.080 | 2.500 |
High resolution limit [Å] | 2.360 | 2.360 |
Rmerge | 0.047 | 0.269 |
Number of reflections | 11692 | |
<I/σ(I)> | 3.3 | 3.6 |
Completeness [%] | 96.4 | 99.3 |
Redundancy | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 0.1M Hepes-NaOH 7.5, 3.9M NaCL |