4DQG
Crystal Structure of apo(G16C/L38C) HIV-1 Protease
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] | 100 |
Detector technology | CCD |
Collection date | 2009-03-03 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.472, 58.168, 61.043 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.110 - 2.790 |
R-factor | 0.20056 |
Rwork | 0.198 |
R-free | 0.26174 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.387 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.740 |
High resolution limit [Å] | 2.650 | 5.710 | 2.650 |
Rmerge | 0.098 | 0.044 | 0.460 |
Number of reflections | 5552 | ||
<I/σ(I)> | 8.1 | ||
Completeness [%] | 97.9 | 99.4 | 98.9 |
Redundancy | 5.7 | 5.4 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 50mM Citrate phosphate buffer pH 5.0, 7% DMSO, 27-35% Ammonium Sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |