5NE6
Crystal structure of dimeric 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) | 0.9800 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 42.550, 114.710, 267.690 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.248 - 2.000 |
R-factor | 0.1676 |
Rwork | 0.166 |
R-free | 0.20320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4p6y |
RMSD bond length | 0.004 |
RMSD bond angle | 0.647 |
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] | 48.248 | 48.248 | 2.050 |
High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
Rmerge | 0.095 | 0.050 | 0.691 |
Rmeas | 0.099 | 0.052 | 0.719 |
Number of reflections | 45086 | 584 | 3290 |
<I/σ(I)> | 16.9 | 38.71 | 3.46 |
Completeness [%] | 99.9 | 98.8 | 99.2 |
Redundancy | 13.228 | 11.781 | 13.052 |
CC(1/2) | 0.998 | 0.996 | 0.879 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 292 | Dimeric TmPep1050 (230 uM in 50 mM MOPS 0.5 M ammonium sulfate pH7.2) was crystallised in 0.1 M sodium citrate 10% PEG3350 pH6.0 |