9US2

Crystal structure of YgdH from Neisseria meningitidis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-11-11
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.987
Spacegroup name	C 2 2 21
Unit cell lengths	86.814, 142.236, 119.308
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.980 - 1.800
R-factor	0.208
Rwork	0.207
R-free	0.22850
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.850
Data reduction software	HKL-3000 (7.21)
Data scaling software	Aimless (0.7.7)
Phasing software	PHENIX (1.19.2_4158)
Refinement software	PHENIX ((1.19.2_4158))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	62.960	1.864
High resolution limit [Å]	1.800	1.800
Rmerge	0.092	1.059
Rmeas	0.096	0.026
Rpim	0.026	0.298
Number of reflections	68487	9039
<I/σ(I)>	18.9
Completeness [%]	100.0
Redundancy	13.2	13.5
CC(1/2)	0.999	0.894

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	293	20%(w/v) PEG 6000, 1 M lithium chloride, 0.1 M citric acid