4G1R
Crystal structure of anti-HIV actinohivin in complex with alphs-1,2-mannobiose (Form II)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-5A |
Synchrotron site | Photon Factory |
Beamline | BL-5A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-03-03 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.00 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 54.760, 66.860, 66.860 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 12.450 - 1.570 |
R-factor | 0.162 |
Rwork | 0.160 |
R-free | 0.19409 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4den |
RMSD bond length | 0.023 |
RMSD bond angle | 2.116 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 12.450 | 1.480 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.058 | 0.083 |
Number of reflections | 38564 | |
<I/σ(I)> | 18.8 | 5.7 |
Completeness [%] | 78.7 | 19.6 |
Redundancy | 5.5 | 1.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 50% MPD, 0.2M Ammonium phosphate monobasic, 0.1M Tris (pH 8.5), VAPOR DIFFUSION, HANGING DROP, temperature 298K |