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