6KC2

Crystal Structure of Lectin from Pleurotus ostreatus in complex with Rhamnose

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	2017-06-16
Detector	RAYONIX MX300-HS
Wavelength(s)	0.99
Spacegroup name	P 61 2 2
Unit cell lengths	152.402, 152.402, 146.035
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.649 - 2.246
R-factor	0.2036
Rwork	0.203
R-free	0.22260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3w5n
RMSD bond length	0.012
RMSD bond angle	1.070
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.330
High resolution limit [Å]	2.250	4.840	2.250
Rmerge	0.180	0.046	1.669
Rmeas	0.185	0.048	1.716
Rpim	0.042	0.011	0.396
Total number of observations	908329
Number of reflections	47965	5122	4693
<I/σ(I)>	3.4
Completeness [%]	99.7	99.4	100
Redundancy	18.9	19	18.4
CC(1/2)		0.999	0.865

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	300	0.9M Na2HPO4/K2HPO4, 33% glycerol