1QRP
Human pepsin 3A in complex with a phosphonate inhibitor IVA-VAL-VAL-LEU(P)-(O)PHE-ALA-ALA-OME
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 293 |
Detector technology | AREA DETECTOR |
Collection date | 1994-08-29 |
Detector | UCSD MARK III |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 71.900, 151.270, 40.790 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.960 |
R-factor | 0.2 |
RMSD bond length | 0.016 |
RMSD bond angle | 2.100 |
Data reduction software | SDMS |
Data scaling software | SDMS |
Refinement software | XTALVIEW |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 65.000 | 2.000 |
High resolution limit [Å] | 1.960 | 1.960 |
Rmerge | 0.108 | |
Total number of observations | 188324 * | |
Number of reflections | 31990 * | |
Completeness [%] | 89.3 | 64.2 |
Redundancy | 5.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 5 | 293 | 40% AMMONIUM SULFATE, 100MM SODIUM ACETATE, 5% MPD, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | pepsin | 17 (mg/ml) | in water |
2 | 1 | drop | phosphonate-inhibitor | 0.8 (mM) | in ethanol |
3 | 1 | reservoir | ammonium sulfate | 40 (%sat) | |
4 | 1 | reservoir | sodium acetate | 100 (mM) | pH5.0 |
5 | 1 | reservoir | MPD | 5 (%) |