5NE7
Crystal structure of H60A 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 | C 2 2 21 |
Unit cell lengths | 42.630, 114.220, 267.960 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.460 - 1.840 |
R-factor | 0.1684 |
Rwork | 0.167 |
R-free | 0.19520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4p6y |
RMSD bond length | 0.004 |
RMSD bond angle | 0.672 |
Data reduction software | XDS (20160617) |
Data scaling software | XSCALE (20160617) |
Phasing software | PHASER (2.6.0) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.460 | 43.460 | 1.890 |
High resolution limit [Å] | 1.840 | 8.220 | 1.840 |
Rmerge | 0.087 | 0.034 | 0.606 |
Rmeas | 0.091 | 0.035 | 0.637 |
Number of reflections | 57222 | 738 | 3818 |
<I/σ(I)> | 16.52 | 43.8 | 2.63 |
Completeness [%] | 99.4 | 98.8 | 91.7 |
Redundancy | 12.015 | 12.347 | 9.848 |
CC(1/2) | 0.999 | 0.999 | 0.891 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 292 | TmPep1050 H60A (230 uM in 50 mM MOPS 0.5 M ammonium sulfate 1 mM cobalt chloride pH7.2) crystallised in 0.1 M sodium citrate 5 % PEG3350 pH 4.5 |