4DEN
Structural insightsinto potent, specific anti-HIV property of actinohivin; Crystal structure of actinohivin in complex with alpha(1-2) mannobiose moiety of high-mannose type glycan of gp120
Experimental 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 | 2009-02-21 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.00 |
Spacegroup name | P 21 3 |
Unit cell lengths | 56.217, 56.217, 56.217 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.750 - 1.600 |
R-factor | 0.14721 |
Rwork | 0.145 |
R-free | 0.20167 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3a07 |
RMSD bond length | 0.021 |
RMSD bond angle | 2.197 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.750 | 1.630 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.060 | 0.570 |
Number of reflections | 8067 | |
<I/σ(I)> | 20.1 | 7.8 |
Completeness [%] | 99.5 | 100 |
Redundancy | 19.4 | 19.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 298 | 20% w/v PEG 1000, 0.2M NaCl, 0.1M Na/K phosphate buffer pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |