1F34
CRYSTAL STRUCTURE OF ASCARIS PEPSIN INHIBITOR-3 BOUND TO PORCINE PEPSIN
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1997-11-13 |
Detector | MAC Science DIP-2030B |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 65.374, 97.593, 136.394 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.660 - 2.450 |
R-factor | 0.218 |
Rwork | 0.218 |
R-free | 0.29000 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.400 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.480 |
High resolution limit [Å] | 2.450 | 2.450 |
Rmerge | 0.081 | 0.327 |
Total number of observations | 116274 * | |
Number of reflections | 16263 | 832 * |
<I/σ(I)> | 24.6 | |
Completeness [%] | 99.3 | 98.9 * |
Redundancy | 7.1 | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 3.5 | 298 | PEG 4000, sodium phosphate, 2-methyl-2,4-pentanediol, pH 3.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | porcine pepsin | 12 (mg/ml) | |
2 | 1 | drop | PI-3 | 5.8 (mg/ml) | |
3 | 1 | drop | PEG4000 | 6 (%(w/v)) | |
4 | 1 | drop | sodium phosphate | 25 (mM) | |
5 | 1 | reservoir | PEG4000 | 12 (%(w/v)) | |
6 | 1 | reservoir | sodium phosphate | 50 (mM) | |
7 | 1 | reservoir | MPD | 15 (%(v/v)) |