6P2L

Crystal structure of Niastella koreensis GH74 (NkGH74) enzyme

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	2016-10-12
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9796
Spacegroup name	P 2 21 21
Unit cell lengths	42.869, 119.096, 127.043
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.128 - 1.080
R-factor	0.1187
Rwork	0.118
R-free	0.13970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mgl
RMSD bond length	0.008
RMSD bond angle	1.112
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]	30.000	1.100
High resolution limit [Å]	1.080	1.080
Rmerge	0.073	0.825
Rpim	0.037	0.447
Number of reflections	274214	13277
<I/σ(I)>	25.9	1.7
Completeness [%]	98.3	96
Redundancy	4.5	4.1
CC(1/2)		0.605

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	1 M ammonium sulfate, 1 M sodium chloride, 0.1 M bis-Tris propane pH 7, xyloglucan mixture