2SAM
STRUCTURE OF THE PROTEASE FROM SIMIAN IMMUNODEFICIENCY VIRUS: COMPLEX WITH AN IRREVERSIBLE NON-PEPTIDE INHIBITOR
Experimental procedure
Spacegroup name | C 2 2 21 |
Unit cell lengths | 62.700, 32.200, 96.100 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 2.400 |
R-factor | 0.19 |
Rwork | 0.190 |
RMSD bond length | 0.014 |
RMSD bond angle | 3.200 |
Phasing software | X-PLOR |
Refinement software | X-PLOR |
Data quality characteristics
Overall | Outer shell | |
High resolution limit [Å] | 2.400 * | 2.250 * |
Rmerge | 0.054 * | |
Total number of observations | 21880 * | |
Number of reflections | 8824 * | |
Completeness [%] | 92.0 * | 77 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 6.5 * | using macroseeding * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 4ml | |
2 | 1 | drop | 4-6 (%sat) | ||
3 | 1 | drop | sodium cacodylate | 100 (mM) | |
4 | 1 | reservoir | 4-6 (%sat) | ||
5 | 1 | reservoir | sodium cacodylate | 100 (mM) |