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 |
