5GYE

Crystal structure of ENZbleach xylanase T28C+T60C and T77C+E249C mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR591
Temperature [K]	100
Detector technology	CCD
Collection date	2015-10-15
Detector	Nonius Kappa CCD
Wavelength(s)	1.54
Spacegroup name	P 2 21 21
Unit cell lengths	42.340, 70.775, 84.788
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.900
R-factor	0.2
Rwork	0.198
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5gv1
RMSD bond length	0.009
RMSD bond angle	1.365
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	1.970
High resolution limit [Å]	1.900	4.090	1.900
Rmerge	0.120	0.047	0.448
Number of reflections	20476
<I/σ(I)>	9.6
Completeness [%]	98.4	99.6	90.5
Redundancy	4.9	5.6	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	4.5	298	PEG MME 5000, 0.1 M NaOAc trihydrate