2IGY
Achiral, Cheap and Potent Inhibitors of Plasmepsins II
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Collection date | 2005-05-15 |
Wavelength(s) | 1.0 |
Spacegroup name | P 32 1 2 |
Unit cell lengths | 161.099, 161.099, 73.932 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 54.400 - 2.600 |
R-factor | 0.21394 |
Rwork | 0.211 |
R-free | 0.26415 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.501 |
Refinement software | REFMAC (5.2.0003) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.400 | 2.740 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.057 | 0.410 |
Number of reflections | 33401 | |
<I/σ(I)> | 14.9 | 1.6 |
Completeness [%] | 99.4 | 98.1 |
Redundancy | 4.1 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 273 | pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 273K |