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 |