7XKS

Crystal structure of an alkaline pectate lyase from Bacillus clausii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17B1
Synchrotron site	SSRF
Beamline	BL17B1
Temperature [K]	295
Detector technology	PIXEL
Collection date	2020-05-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 43 21 2
Unit cell lengths	109.085, 109.085, 44.977
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.270 - 1.780
R-factor	0.1559
Rwork	0.154
R-free	0.18910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vmw
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1-4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.840
High resolution limit [Å]	1.780	3.830	1.780
Rmerge	0.088	0.040	0.859
Rmeas	0.093	0.042	0.905
Rpim	0.029	0.013	0.283
Total number of observations	276885
Number of reflections	26611	2868	2609
<I/σ(I)>	11.8
Completeness [%]	100.0	99.8	100
Redundancy	10.4	9.8	10.2
CC(1/2)		0.999	0.835

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	0.05M Mgcl2, 0.1M HEPEs, 30% PEG 550