7U3F
GID4 in complex with compound 4
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 | 2020-03-01 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.97949 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 40.340, 57.280, 72.530 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.952 - 2.300 |
R-factor | 0.2349 |
Rwork | 0.233 |
R-free | 0.26180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ccr |
Data reduction software | XDS (20190806) |
Data scaling software | XSCALE (20190806) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 44.952 | 44.952 | 2.430 |
High resolution limit [Å] | 2.300 | 6.810 | 2.300 |
Rmerge | 0.081 | 0.042 | 0.757 |
Rmeas | 0.089 | 0.047 | 0.887 |
Total number of observations | 45787 | ||
Number of reflections | 7797 | 346 | 1119 |
<I/σ(I)> | 13.54 | 33.46 | 1.52 |
Completeness [%] | 98.2 | 99.4 | 89.5 |
Redundancy | 5.872 | 5.408 | 3.601 |
CC(1/2) | 0.998 | 0.998 | 0.764 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 15% PEG5000 MME, 0.1 M Bis-tris |