4END
Crystal structure of anti-HIV actinohivin in complex with alpha-1,2-mannobiose (P 2 21 21 form)
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 | 27.840, 66.840, 67.060 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.700 - 1.900 |
| R-factor | 0.16703 |
| Rwork | 0.164 |
| R-free | 0.23094 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4den |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.908 |
| 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] | 27.840 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.111 | 0.348 |
| Number of reflections | 10409 | |
| <I/σ(I)> | 11.2 | 4.6 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.5 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.2M Ammonium phosphate, 0.1M Tris, 50% (v/v) 2-Methyl-2,4-pentanediol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
