5GYC

Crystal structure of ENZbleach xylanase K73R+K185R 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	2015-03-06
Detector	ADSC QUANTUM 315
Wavelength(s)	1
Spacegroup name	P 2 21 21
Unit cell lengths	42.254, 70.778, 84.531
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.400
R-factor	0.1729
Rwork	0.171
R-free	0.20320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5gv1
RMSD bond length	0.011
RMSD bond angle	1.436
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	30.000	1.450
High resolution limit [Å]	1.400	3.020	1.400
Rmerge	0.033	0.019	0.423
Number of reflections	49264
<I/σ(I)>	16.9
Completeness [%]	96.8	96.2	93.7
Redundancy	3.8	3.9	3.6
CC(1/2)		0.999	0.845

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