4XHC

rhamnosidase from Klebsiella oxytoca with rhamnose bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-07-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.068
Spacegroup name	P 41 21 2
Unit cell lengths	148.430, 148.430, 202.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.070 - 2.700
R-factor	0.1833
Rwork	0.182
R-free	0.20220
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.134
Data scaling software	Aimless
Phasing software	SHELX
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	63.070	63.070	2.770
High resolution limit [Å]	2.700	12.070	2.700
Rmerge	0.125	0.030	1.077
Rpim	0.061	0.015	0.522
Total number of observations	300908	3424	22055
Number of reflections	61251
<I/σ(I)>	9.7	26.6	1.4
Completeness [%]	98.5	95.1	99
Redundancy	4.9	4.5	5
CC(1/2)	0.995	0.998	0.625

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	10% (w/v) PEG 3350, 200 mM MgSO4
1	VAPOR DIFFUSION, HANGING DROP		293	10% (w/v) PEG 3350, 200 mM MgSO4