3S4D

Lactose phosphorylase in a ternary complex with cellobiose and sulfate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	CCD
Collection date	2009-09-10
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.00
Spacegroup name	P 21 21 2
Unit cell lengths	84.710, 92.880, 104.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.540 - 3.300
R-factor	0.2966
Rwork	0.296
R-free	0.34020
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.376
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.540	3.390
High resolution limit [Å]	3.300	3.300
Number of reflections	12806
Completeness [%]	98.8	99.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	298	0.5M ammonium sulate, 1.0M lithium sulfate, 0.1M tri-sodium citrate dehydrate pH5.6 soaked with 0.5M ammonium sulate, 1.0M lithium sulfate, 0.1M tri-sodium citrate dehydrate pH5.6, 50mM cellobiose, VAPOR DIFFUSION, HANGING DROP, temperature 298K