6KBJ

Structure of Lectin from Pleurotus ostreatus in complex with malonate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2017-06-15
Detector	RAYONIX MX300-HS
Wavelength(s)	0.99
Spacegroup name	P 61 2 2
Unit cell lengths	152.477, 152.477, 146.162
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.200
R-factor	0.1891
Rwork	0.188
R-free	0.21510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5w5n
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	BALBES
Refinement software	PHENIX (v1.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	132.000	50.000	2.260
High resolution limit [Å]	2.180	4.700	2.180
Rmerge	0.116	0.039	1.678
Rmeas	0.120	0.041	1.000
Rpim	0.033	0.011	0.472
Number of reflections	52573	5587	5138
<I/σ(I)>	7.3
Completeness [%]	99.9	99.3	100
Redundancy	13.4	12.7	13.2
CC(1/2)		0.999	0.773

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	300	1.9M sodium malonate