4K4P
TL-3 inhibited Trp6Ala HIV Protease
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-03-23 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.918 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 98.505, 98.505, 96.409 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.850 - 2.310 |
| R-factor | 0.18753 |
| Rwork | 0.185 |
| R-free | 0.23400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.952 |
| Data reduction software | autoXDS |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 34.850 | 34.827 | 2.430 |
| High resolution limit [Å] | 2.309 | 7.300 | 2.310 |
| Rmerge | 0.015 | 0.379 | |
| Number of reflections | 10686 | ||
| <I/σ(I)> | 29.8 | 36.1 | 2.1 |
| Completeness [%] | 99.5 | 98.9 | 97.3 |
| Redundancy | 6.4 | 5.3 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5 | 298 | 0.1M NaOAc pH 5.0, 2.5M NaNO3, vapor diffusion, temperature 298K |
