7U3K
GID4 in complex with compound 89
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 | 2021-10-09 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.97911 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 40.046, 40.046, 201.659 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.279 - 2.198 |
R-factor | 0.2573 |
Rwork | 0.254 |
R-free | 0.31270 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ccr |
Data reduction software | XDS (20210322) |
Data scaling software | XSCALE (20210322) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.16-3549) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 39.279 | 39.279 | 2.330 |
High resolution limit [Å] | 2.198 | 6.510 | 2.200 |
Rmerge | 0.122 | 0.076 | 2.531 |
Rmeas | 0.129 | 0.081 | 2.668 |
Number of reflections | 9021 | 425 | 1383 |
<I/σ(I)> | 9.55 | 23.67 | 1.03 |
Completeness [%] | 98.8 | 98.4 | 97.2 |
Redundancy | 9.63 | 8.572 | 10.08 |
CC(1/2) | 0.994 | 0.996 | 0.509 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 20% PEG6000, 0.1 M HEPES, 0.2 M calcium chloride |