7B3N
AmiP amidase-3 from Thermus parvatiensis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-05-03 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 1.2824 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 64.539, 97.988, 148.723 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.679 - 1.793 |
Rwork | 0.185 |
R-free | 0.22530 |
Structure solution method | SAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.604 |
Data reduction software | DIALS |
Data scaling software | DIALS |
Phasing software | SHELXDE |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.530 | 1.830 |
High resolution limit [Å] | 1.790 | 1.790 |
Rmerge | 0.035 | 1.132 |
Rmeas | 0.050 | 1.601 |
Rpim | 0.035 | 1.132 |
Number of reflections | 86433 | 3209 |
<I/σ(I)> | 9.2 | 0.8 |
Completeness [%] | 96.9 | 69.3 |
Redundancy | 1.9 | 1.9 |
CC(1/2) | 0.999 | 0.283 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 298 | 0.1 M hepes pH 7.8, 65 % MPD |