5ZQS

Crystal structure of beta-xylosidase mutant (E186Q/F503Y) from Bacillus pumilus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2017-12-12
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97940
Spacegroup name	C 1 2 1
Unit cell lengths	117.021, 103.437, 104.813
Unit cell angles	90.00, 123.08, 90.00

Refinement procedure

Resolution	35.633 - 1.782
R-factor	0.168
Rwork	0.166
R-free	0.20930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zqj
RMSD bond length	0.007
RMSD bond angle	0.916
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.11.1-2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.810
High resolution limit [Å]	1.780	1.780
Rmerge	0.085	0.466
Rmeas	0.094	0.558
Rpim	0.038	0.298
Number of reflections	95015	4377
<I/σ(I)>	13.86	1.97
Completeness [%]	96.1	88.8
Redundancy	4.7	2.6
CC(1/2)		0.268

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	287	0.05 M HEPES (pH 7.5), 20% (w/v) PEG 3350, 1% (w/v) tryptone, and 30 mM xylobiose