9O5H

Crystal structure of GH30_8 xylanase from Bacillus pumilus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS SIRIUS BEAMLINE MANACA
Synchrotron site	LNLS SIRIUS
Beamline	MANACA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-28
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.977
Spacegroup name	P 21 21 21
Unit cell lengths	59.084, 101.484, 158.689
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.650 - 2.160
R-factor	0.1934
Rwork	0.192
R-free	0.21547
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.837
Data reduction software	autoPROC
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.650	2.237
High resolution limit [Å]	2.160	2.160
Number of reflections	51299	4885
<I/σ(I)>	8.58
Completeness [%]	98.5
Redundancy	2
CC(1/2)	0.996	0.489

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	20% (w/v) PEG 3350 and 0.18 M ammonium citrate