7BV7
INTS3 complexed with INTS6
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-08-03 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 60.570, 126.030, 84.440 |
Unit cell angles | 90.00, 102.12, 90.00 |
Refinement procedure
Resolution | 43.950 - 2.400 |
R-factor | 0.2069 |
Rwork | 0.205 |
R-free | 0.24920 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.450 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.080 | 0.750 |
Number of reflections | 43480 | 4704 |
<I/σ(I)> | 4.9 | |
Completeness [%] | 90.0 | |
Redundancy | 2.7 | |
CC(1/2) | 0.995 | 0.530 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 288 | 1.7 M Ammonium citrate pH 7.0 4% pentaerythritol ethoxylate |