5MAN

Structure of sucrose phosphorylase from Bifidobacterium adolescentis bound to nigerose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97625
Spacegroup name	P 43 21 2
Unit cell lengths	82.445, 82.445, 154.864
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.573 - 2.040
R-factor	0.2363
Rwork	0.235
R-free	0.26170
RMSD bond length	0.003
RMSD bond angle	0.569
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (dev_2443)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.573		2.180
High resolution limit [Å]	2.040	5.730	2.040
Rmerge	0.040	0.016	1.070
Number of reflections	64797
<I/σ(I)>	19.15	69.06	1.32
Completeness [%]	99.8	99.6	99.8
Redundancy	8
CC(1/2)	1.000	1.000	0.492

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	PEG 1000, 150MM NACL, MES, 2%, SACHAROSE, PH 7.0