5LYX
CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX; WITH AN INHIBITOR 5-((R)-1-[1,2,4]Triazolo[1,5-a]pyrimidin-7-yl-pyrrolidin-2-ylmethoxy)-isoquinoline
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-06-30 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 1.00000 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 89.215, 99.944, 100.930 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.780 - 1.900 |
R-factor | 0.196 |
Rwork | 0.195 |
R-free | 0.21700 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.030 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | BUSTER-TNT (2.11.6) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.000 | 1.950 | |
High resolution limit [Å] | 1.900 | 8.500 | 1.900 |
Rmerge | 0.062 | 0.021 | 0.800 |
Number of reflections | 35850 | ||
<I/σ(I)> | 17.37 | 60.32 | 1.66 |
Completeness [%] | 99.9 | 98.7 | 100 |
Redundancy | 6.63 | ||
CC(1/2) | 0.999 | 0.999 | 0.785 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 20% methanol, 0.1 M citrate |