7U3E
GID4 in complex with compound 1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-11-30 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97918 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 54.115, 39.785, 66.722 |
Unit cell angles | 90.00, 94.91, 90.00 |
Refinement procedure
Resolution | 66.478 - 1.852 |
R-factor | 0.2055 |
Rwork | 0.204 |
R-free | 0.23410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ccr |
Data reduction software | XDS (20190315) |
Data scaling software | Aimless (0.5.32) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.16-3549) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 66.480 | 66.480 | 1.890 |
High resolution limit [Å] | 1.850 | 9.070 | 1.850 |
Rmerge | 0.075 | 0.039 | 0.866 |
Rmeas | 0.084 | 0.044 | 1.027 |
Rpim | 0.037 | 0.019 | 0.530 |
Total number of observations | 111545 | 1085 | 3349 |
Number of reflections | 23568 | 236 | 1052 |
<I/σ(I)> | 11 | 32.8 | 1.1 |
Completeness [%] | 96.7 | 99.5 | 71.2 |
Redundancy | 4.7 | 4.6 | 3.2 |
CC(1/2) | 0.998 | 0.998 | 0.548 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 17% PEG3350, 0.1 M Bis-tris, 0.2 M ammonium acetate |