6DE9
mitoNEET bound to furosemide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-04-11 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.74 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 58.830, 58.830, 176.750 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.300 - 1.950 |
R-factor | 0.2016 |
Rwork | 0.200 |
R-free | 0.22100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ree |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.6.3) |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.300 | 30.300 | 2.020 |
High resolution limit [Å] | 1.950 | 8.940 | 1.950 |
Rmerge | 0.035 | 0.066 | 0.253 |
Rmeas | 0.100 | 0.068 | 1.378 |
Rpim | 0.021 | 0.013 | 0.298 |
Total number of observations | 257706 | ||
Number of reflections | 11815 | 159 | 799 |
<I/σ(I)> | 40.9 | 2.24 | |
Completeness [%] | 99.9 | 98.2 | 100 |
Redundancy | 21.8 | 21.7 | 21.1 |
CC(1/2) | 0.999 | 0.999 | 0.796 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 295 | 60% v/v Tacsimate TM, pH 7.0 |