7TM7

Crystal structure of Alpha-1,4 glucan phosphorylase from Klebsiella pneumoniae

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	2021-11-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9840
Spacegroup name	P 21 21 21
Unit cell lengths	72.862, 150.386, 156.352
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.090 - 1.910
R-factor	0.1732
Rwork	0.171
R-free	0.21310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1l5w
Data reduction software	XDS
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	156.350	156.350	1.960
High resolution limit [Å]	1.910	8.540	1.910
Rmerge	0.099	0.021	0.898
Rmeas	0.107	0.023	0.967
Rpim	0.040	0.009	0.358
Total number of observations	900358	10878	68565
Number of reflections	131263	1697	9638
<I/σ(I)>	13.3	53.2	2
Completeness [%]	98.4	99.7	98.5
Redundancy	6.9	6.4	7.1
CC(1/2)	0.999	1.000	0.775

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	Index H10: 20% (w/v) PEG 3350, 0.2 M Sodium citrate tribasic dihydrate, KlpnC.20502.a.B1.PW39073 at 30 mg/mL, Tray: plate 12363 well H4 drop 2, Puck: PSL1309, Cryo: 80% crystallant + 20% PEG 200