5NE9
Crystal structure of H60A H307A mutant of Thermotoga maritima TmPEP1050 aminopeptidase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-11-25 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.9801 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 43.240, 137.790, 61.110 |
Unit cell angles | 90.00, 110.69, 90.00 |
Refinement procedure
Resolution | 43.995 - 2.374 |
R-factor | 0.2086 |
Rwork | 0.206 |
R-free | 0.23430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4p6y |
RMSD bond length | 0.005 |
RMSD bond angle | 0.738 |
Data reduction software | XDS (20160617) |
Data scaling software | XSCALE (20160617) |
Phasing software | PHASER (2.6.0) |
Refinement software | PHENIX (1.10.1-2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.995 | 43.995 | 2.440 |
High resolution limit [Å] | 2.370 | 10.620 | 2.370 |
Rmerge | 0.135 | 0.083 | 0.545 |
Rmeas | 0.146 | 0.091 | 0.593 |
Number of reflections | 26900 | 310 | 1923 |
<I/σ(I)> | 8.75 | 15.55 | 2.41 |
Completeness [%] | 99.4 | 97.5 | 96 |
Redundancy | 6.815 | 6.929 | 6.387 |
CC(1/2) | 0.992 | 0.985 | 0.814 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.2 | 293 | TmPep1050 H60A H307A (320 uM in 50 mM MOPS 0.5 M ammonium sulfate pH 7.2) was crystallised in 0.1M sodium citrate 20% PEG3350 pH 5.2 |