5KA5
HIV-1 gp41 variant V549E resistance mutation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-12-10 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.03320 |
| Spacegroup name | H 3 |
| Unit cell lengths | 40.716, 40.716, 115.521 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 17.998 - 1.800 |
| R-factor | 0.1939 |
| Rwork | 0.187 |
| R-free | 0.22250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1aik |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.321 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 18.000 | 1.850 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.064 | 0.597 |
| Number of reflections | 13238 | |
| <I/σ(I)> | 6.3 | 1.3 |
| Completeness [%] | 99.8 | 99.5 |
| Redundancy | 2.8 | 2.8 |
| CC(1/2) | 0.997 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 291 | 3M Sodium chloride, 0.1M Sodium Acetate Sample concentration: 6 mg/ml |
