1HP7
A 2.1 ANGSTROM STRUCTURE OF AN UNCLEAVED ALPHA-1-ANTITRYPSIN SHOWS VARIABILITY OF THE REACTIVE CENTER AND OTHER LOOPS
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Spacegroup name | P 32 1 2 |
Unit cell lengths | 77.570, 77.570, 124.290 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 99.000 - 2.100 |
R-factor | 0.219 * |
Rwork | 0.219 |
R-free | 0.27300 |
Structure solution method | MIR |
RMSD bond length | 0.006 * |
RMSD bond angle | 1.310 * |
Data scaling software | SCALEPACK |
Phasing software | SHARP |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
High resolution limit [Å] | 2.100 * | |
Rmerge | 0.071 * | 0.354 * |
Total number of observations | 74819 * | |
Number of reflections | 23044 * | |
Completeness [%] | 91.0 * | 85 * |
Redundancy | 3.2 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 6.5 * | 25 * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 18 (mg/ml) | |
2 | 1 | drop | sodium phosphate | 10 (mM) | |
3 | 1 | drop | 50 (mM) | ||
4 | 1 | drop | beta-mercaptoethanol | 2 (mM) | |
5 | 1 | reservoir | sodium cacodylate | 100 (mM) | |
6 | 1 | reservoir | zinc acetate | 200 (mM) | |
7 | 1 | reservoir | PEG8000 | 5 (%(w/v)) |