5BQU

Crystal structure of HA17-HA33-Lactulose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2013-03-21
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979180
Spacegroup name	C 2 2 21
Unit cell lengths	106.988, 118.667, 161.790
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.844 - 2.380
R-factor	0.191
Rwork	0.189
R-free	0.22970
RMSD bond length	0.009
RMSD bond angle	1.229
Data reduction software	HKL-2000
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.890	2.510
High resolution limit [Å]	2.380	2.380
Rmerge		0.390
Number of reflections	41291
<I/σ(I)>	14.5	2.5
Completeness [%]	99.4	99.6
Redundancy	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1 M MES, 0.1 M magnesium chloride, 5% PEG 8000