4P6A
Crystal structure of a potent anti-HIV lectin actinohivin in complex with alpha-1,2-mannotriose
Replaces: 4G1SExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-05-26 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 1.00 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 98.970, 27.230, 56.910 |
Unit cell angles | 90.00, 119.79, 90.00 |
Refinement procedure
Resolution | 21.690 - 1.398 |
R-factor | 0.1437 |
Rwork | 0.141 |
R-free | 0.16920 |
RMSD bond length | 0.019 |
RMSD bond angle | 2.235 |
Data scaling software | SCALA (3.3.20) |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.389 | 21.676 | 1.470 |
High resolution limit [Å] | 1.398 | 4.420 | 1.398 |
Rmerge | 0.072 | 0.181 | |
Rmeas | 0.100 | ||
Rpim | 0.052 | 0.044 | 0.108 |
Total number of observations | 95140 | 2797 | 13417 |
Number of reflections | 25397 | ||
<I/σ(I)> | 10.7 | 15.2 | 5.9 |
Completeness [%] | 96.3 | 90 | 94.1 |
Redundancy | 3.7 | 3.6 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 298 | 3% PEG400, 0.1 M sodium/potassium phosphate, pH 6.2, 0.8 M ammonium sulfate |