5GYI

Crystal structure of ENZbleach xylanase V176C+E220C mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR591
Temperature [K]	100
Detector technology	CCD
Collection date	2014-12-25
Detector	Nonius Kappa CCD
Wavelength(s)	1.54
Spacegroup name	P 2 21 21
Unit cell lengths	42.664, 70.146, 86.068
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.970
R-factor	0.1952
Rwork	0.193
R-free	0.24530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5gv1
RMSD bond length	0.010
RMSD bond angle	1.372
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]	30.000	30.000	2.040
High resolution limit [Å]	1.970	4.240	1.970
Rmerge	0.102	0.034	0.397
Number of reflections	18798
<I/σ(I)>	7.2
Completeness [%]	99.4	99.9	97.8
Redundancy	3.6	3.5	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	4.2	298	PEG 8000, 0.2 M NaCl, 0.1 M Phosphate-citrate