5GYB

Crystal structure of ENZbleach xylanase V5N+V6N+K7R+K223R+K227R and T28C+T60C mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-07-03
Detector	ADSC QUANTUM 315
Wavelength(s)	1
Spacegroup name	P 2 21 21
Unit cell lengths	42.267, 71.308, 83.889
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.010 - 1.650
R-factor	0.1795
Rwork	0.178
R-free	0.20900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5gv1
RMSD bond length	0.011
RMSD bond angle	1.349
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.010	50.000	1.710
High resolution limit [Å]	1.650	3.550	1.650
Rmerge	0.027	0.020	0.093
Number of reflections	30620
<I/σ(I)>	26.3
Completeness [%]	98.0	98.1	87.3
Redundancy	3.7	3.8	2.2
CC(1/2)		0.999	0.987

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		298	PEG 3350, 0.1 M tri-sodium acetate pH 4.5, 0.1 M Bis-Tris pH 5.5