6ORM
Crystal Structure of Peruvianin-I (Cysteine peptidase from Thevetia peruviana latex)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LNLS BEAMLINE W01B-MX2 |
Synchrotron site | LNLS |
Beamline | W01B-MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-05-18 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.450 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 88.642, 88.642, 179.094 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.642 - 2.150 |
R-factor | 0.1996 |
Rwork | 0.199 |
R-free | 0.22050 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1fi2 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.049 |
Data reduction software | XDS (v0.73) |
Data scaling software | Aimless (v.0.5.1) |
Phasing software | PHASER (v.2.6.0) |
Refinement software | PHENIX ((1.13_2998)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.320 | 2.220 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.055 | 0.928 |
Rmeas | 0.058 | 1.180 |
Rpim | 0.016 | 0.478 |
Number of reflections | 39673 | 3319 |
<I/σ(I)> | 39.7 | 2.1 |
Completeness [%] | 99.8 | 98.2 |
Redundancy | 22.9 | 10.8 |
CC(1/2) | 1.000 | 0.735 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 4.6 | 298 | 0.1 M Sodium acetate trihydrate pH 4.6, 2.0 M sodium formate |