8T7Z

Crystal structure of alpha-glucosidase (yicI) from Klebsiella aerogenes

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 19-ID
Synchrotron site	NSLS-II
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-05-20
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	81.788, 208.509, 280.763
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.250 - 2.700
R-factor	0.2308
Rwork	0.229
R-free	0.26290
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.615
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21rc1_4933: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.550	2.750
High resolution limit [Å]	2.700	2.700
Rmerge	0.185	1.169
Rmeas	0.200	1.275
Rpim	0.076	0.506
Total number of observations	915751	40706
Number of reflections	132661	6487
<I/σ(I)>	9.4	1.8
Completeness [%]	100.0
Redundancy	6.9	6.3
CC(1/2)	0.994	0.670

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.5	291	JCSG+ A7: 20% (w/v) PEG 8000, 100 mM Ches pH 9.5. KlaeA.19615.a.B1.PW39183 at 20.7 mg/mL. plate 13206 well A7 drop 2 . Puck: PSL-0415, Cryo: 20% PEG 200 + 80% crystallant