6P2O

Crystal structure of Streptomyces rapamycinicus GH74 in complex with xyloglucan fragments XLLG and XXXG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-13
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9796
Spacegroup name	P 21 21 21
Unit cell lengths	92.996, 112.788, 222.759
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.822 - 1.880
R-factor	0.1486
Rwork	0.148
R-free	0.17990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jwz
RMSD bond length	0.013
RMSD bond angle	1.133
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((1.15_3448: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.910
High resolution limit [Å]	1.880	1.880
Rmerge	0.082	0.954
Rpim	0.043	0.565
Number of reflections	172049	8554
<I/σ(I)>	12.2	1.1
Completeness [%]	89.4	90.1
Redundancy	3.7	3.6
CC(1/2)		0.541

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	1.6 M ammonium sulfate, 0.1 M sodium chloride, 0.1 M Hepes pH 7.5, xyloglucan mixture