8QHR

Crystal structure of the human DNPH1 glycosyl-enzyme intermediate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-29
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.8856
Spacegroup name	P 21 21 21
Unit cell lengths	47.420, 55.039, 103.949
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.970 - 1.650
R-factor	0.1864
Rwork	0.184
R-free	0.22180
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.641
Data reduction software	DIALS
Data scaling software	pointless (1.12.8)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	103.980	1.680
High resolution limit [Å]	1.650	1.650
Number of reflections	33501	1625
<I/σ(I)>	5.6
Completeness [%]	99.8	99.1
Redundancy	8.4
CC(1/2)	0.994	0.164

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	0.1 M Bis-Tris propane pH 6.5, 16% w/v PEG 3350