1IOI
x-ray crystalline structures of pyrrolidone carboxyl peptidase from a hyperthermophile, pyrococcus furiosus, and its cys-free mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 298 |
Detector technology | IMAGE PLATE |
Collection date | 1996-10-24 |
Detector | MAC Science DIP-2030 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 49.000, 105.800, 105.800 |
Unit cell angles | 90.00, 96.20, 90.00 |
Refinement procedure
Resolution | 10.000 - 2.700 |
Rwork | 0.210 |
R-free | 0.24300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | ENTRY 1AUG |
RMSD bond length | 0.025 * |
RMSD bond angle | 3.680 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR |
Refinement software | X-PLOR |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 200.000 | 2.610 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.130 | 0.211 |
Number of reflections | 33343 * | |
<I/σ(I)> | 5 | 2.8 |
Completeness [%] | 89.9 | 72 |
Redundancy | 3.6 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 25 * | ammonium sulfate, MPD, sodium acetate, EDTA, DTE, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 10 (mg/ml) | |
2 | 1 | drop | Na-acetate | 80 (mM) | |
3 | 1 | reservoir | Na-acetate | 80 (mM) | |
4 | 1 | reservoir | ammonium sulfate | 0.5 (M) | |
5 | 1 | reservoir | MPD | 30 (%(v/v)) |