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 |
