6P2M

Crystal structure of the Caldicellulosiruptor lactoaceticus GH74 (ClGH74a) enzyme in complex with LLG xyloglucan

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2016-07-20
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	64.994, 72.759, 150.703
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.608 - 1.980
R-factor	0.1576
Rwork	0.156
R-free	0.20400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5fkq
RMSD bond length	0.003
RMSD bond angle	0.572
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.010
High resolution limit [Å]	1.980	1.980
Rmerge	0.165	0.873
Rpim	0.063	0.438
Number of reflections	50820	2479
<I/σ(I)>	18.2	2.4
Completeness [%]	100.0	99.9
Redundancy	7.8	6.3
CC(1/2)		0.623

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	25% (w/v) PEG3350, 0.1 M Tris pH 8.5, xyloglucan mixture