1Z8W
Structure of Mutant Pyrrolidone Carboxyl Peptidase (E192I) from a Hyperthermophile, Pyrococcus furiosus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL40B2 |
Synchrotron site | SPring-8 |
Beamline | BL40B2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-01-23 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 47.405, 103.922, 186.392 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 2.000 |
Rwork | 0.216 |
R-free | 0.24220 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1x10 |
RMSD bond length | 0.005 |
RMSD bond angle | 1.320 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.041 | 0.077 |
Number of reflections | 60478 | |
<I/σ(I)> | 36.8 | 19.4 |
Completeness [%] | 95.0 | 69.8 |
Redundancy | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | PEG4000, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |