9G3T
Structure of the PRO-PRO endopeptidase (PPEP-3) E153A Y189F from Geobacillus thermodenitrificans
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-11-17 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.87313 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 125.622, 125.622, 63.483 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 62.810 - 1.600 |
R-factor | 0.1572 |
Rwork | 0.157 |
R-free | 0.17740 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.016 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((1.21.2_5419: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 70.000 | 70.000 | 1.640 |
High resolution limit [Å] | 1.600 | 7.150 | 1.600 |
Rmerge | 0.134 | 0.070 | 1.765 |
Rmeas | 0.140 | 0.080 | 1.835 |
Number of reflections | 128364 | 1451 | 9339 |
<I/σ(I)> | 12.08 | 33.69 | 1.54 |
Completeness [%] | 99.9 | 99.7 | 98.3 |
Redundancy | 13.4 | 13.44 | 9 |
CC(1/2) | 0.998 | 0.998 | 0.284 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293.15 | 0.12 M Ethylene Glycols 0.1 M Tris-Bicine pH 8.5 30 % P550MME_P20K |