5ZQX

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2017-05-29
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	P 1 21 1
Unit cell lengths	103.259, 104.776, 113.163
Unit cell angles	90.00, 111.13, 90.00

Refinement procedure

Resolution	30.700 - 2.000
R-factor	0.1721
Rwork	0.170
R-free	0.21420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5zqj
RMSD bond length	0.004
RMSD bond angle	0.713
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	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.071	0.334
Rmeas	0.079	0.399
Rpim	0.033	0.211
Number of reflections	143588	6694
<I/σ(I)>	16.64	2.84
Completeness [%]	94.6	88.7
Redundancy	4.4	2.8
CC(1/2)		0.644

Crystallization Conditions

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