9CGD
Human DJ-1, 10 sec mixing with methylglyoxal, pink beam time-resolved serial crystallography, CrystFEL processed
This is a non-PDB format compatible entry.
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 - 1.970 |
| R-factor | 0.15 |
| Rwork | 0.148 |
| R-free | 0.17720 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.742 |
| 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 | 24998 | 2428 |
| <I/σ(I)> | 4.68 | 0.31 |
| Completeness [%] | 99.0 | 98.7 |
| Redundancy | 95.32 | 90.5 |
| CC(1/2) | 0.990 | 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 |
