8PNE

E.coli YihX Wild Type Apo

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-07-31
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9762
Spacegroup name	I 2 2 2
Unit cell lengths	67.216, 79.567, 148.188
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	70.200 - 1.900
Rwork	0.204
R-free	0.23390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.491
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0415)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.200	1.940
High resolution limit [Å]	1.900	1.900
Number of reflections	31737	2009
<I/σ(I)>	12.9
Completeness [%]	100.0
Redundancy	13.6
CC(1/2)	0.998	0.837

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	20-60 mg/mL YihX protein in the buffer of Tris-HCl 25 mM pH 7.5, NaCl 150 mM, MgCl2 20 mM, NaF 30 mM, was mixed 1:1 ratio with the precipitant containing MES 55.5 mM, imidazole 44.5 mM pH 6.5, 30 mM MgCl2, 30 mM CaCl2, 20% glycerol, 10% PEG4000, 20% PEG500