5YRJ

PPL3B-isomaltose complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-21
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	45.640, 50.570, 115.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.609 - 1.800
R-factor	0.198
Rwork	0.195
R-free	0.25450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yrk
RMSD bond length	0.012
RMSD bond angle	1.191
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.051	0.248
Number of reflections	24621	3350
<I/σ(I)>	7.5	2.8
Completeness [%]	97.2	92.3
Redundancy	2	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.2M ammonium sulfate, 25%(w/v) PEG 3350, 0.1M Tris buffer pH 5.5