9CMY

Human DJ-1, 6.5-18.5 min mixing with methylglyoxal, fixed target serial crystallography

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE 7B2
Synchrotron site	CHESS
Beamline	7B2
Temperature [K]	293
Detector technology	PIXEL
Collection date	2024-02-12
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.969
Spacegroup name	P 31 2 1
Unit cell lengths	76.234, 76.234, 76.392
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.950 - 1.690
R-factor	0.1584
Rwork	0.157
R-free	0.17510
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.007
RMSD bond angle	0.779
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHENIX (1.19.2_4158)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.020	1.720
High resolution limit [Å]	1.690	1.690
Rmerge	0.295	5.560
Number of reflections	28986	1428
<I/σ(I)>	6.6
Completeness [%]	99.3	99.86
Redundancy	12.8
CC(1/2)	0.976	0.066

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