2J9K
Atomic-resolution Crystal Structure of Chemically-Synthesized HIV-1 Protease Complexed with Inhibitor MVT-101
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-C |
Synchrotron site | APS |
Beamline | 14-BM-C |
Temperature [K] | 150 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.572, 58.772, 61.271 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.200 |
R-factor | 0.188 |
R-free | 0.20900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7hvp |
RMSD bond length | 0.015 |
RMSD bond angle | 0.034 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.240 |
High resolution limit [Å] | 1.200 | 1.200 |
Rmerge | 0.100 | 0.580 |
Number of reflections | 56850 | |
<I/σ(I)> | 33.7 | 3 |
Completeness [%] | 98.9 | 97.7 |
Redundancy | 10.4 | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 0.25M CITRATE, 0.5M PHOSPHATE, 30% SATURATED AMMONIUM SULFATE, PH 6.0 | |||
1 | 0.25M CITRATE, 0.5M PHOSPHATE, 30% SATURATED AMMONIUM SULFATE, PH 6.0 |