9CGB
Human DJ-1, 5 sec mixing with methylglyoxal, pink beam time-resolved serial crystallography, CrystFEL processed
Experimental procedure
| Experimental method | LAUE |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-ID-B |
| Synchrotron site | APS |
| Beamline | 14-ID-B |
| Temperature [K] | 293 |
| Detector technology | CCD |
| Collection date | 2022-11-13 |
| Detector | RAYONIX MX340-HS |
| Wavelength(s) | 1.240-1.016 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 76.030, 76.030, 76.140 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.960 - 2.010 |
| R-factor | 0.1635 |
| Rwork | 0.162 |
| R-free | 0.18840 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.525 |
| Data reduction software | Precognition |
| Data scaling software | CrystFEL |
| Phasing software | PHENIX (1.19.2_4158) |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.840 | 1.800 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Number of reflections | 24994 | 2427 |
| <I/σ(I)> | 3.98 | |
| Completeness [%] | 99.0 | 98.66 |
| Redundancy | 66.03 | 63.3 |
| CC(1/2) | 0.980 | 0.050 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 7.5 | 293 | 100 mM HEPES, 200 mM NaCl, 15% (w/v) PEG 3350 |
