7M1R

Crystal structure of a 6-phospho-beta-galactosidase from Bacillus licheniformis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-04-18
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9765
Spacegroup name	P 1 21 1
Unit cell lengths	99.988, 71.380, 169.290
Unit cell angles	90.00, 100.94, 90.00

Refinement procedure

Resolution	65.590 - 1.980
R-factor	0.1569
Rwork	0.155
R-free	0.18840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zen
Data reduction software	iMOSFLM (7.3.0)
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.19.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	98.170	98.170	2.010
High resolution limit [Å]	1.980	10.820	1.980
Rmerge	0.091	0.097	0.375
Rmeas	0.115	0.126	0.466
Rpim	0.069	0.079	0.272
Total number of observations	368584	2653	19012
Number of reflections	155511	1040	7709
<I/σ(I)>	6.6	12.4	2.6
Completeness [%]	94.7	95.9	95.6
Redundancy	2.4	2.6	2.5
CC(1/2)	0.928	0.698	0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	15% PEG4000, 0.2 M sodium acetate, and 0.1 M Tris