6KBQ

Crystal Structure of Lectin from Pleurotus ostreatus in complex with Glycerol

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	152.445, 152.445, 145.762
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.654 - 2.299
R-factor	0.2004
Rwork	0.199
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3w5n
RMSD bond length	0.009
RMSD bond angle	1.003
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.380
High resolution limit [Å]	2.299	4.950	2.300
Rmerge	0.081	0.035	0.854
Rmeas	0.088	0.039	0.929
Rpim	0.034	0.015	0.362
Number of reflections	44609	4676	4422
<I/σ(I)>	6
Completeness [%]	99.3	97.2	99.9
Redundancy	6.4	6.1	6.5
CC(1/2)		0.999	0.836

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		300	1.4M Na2HPO4/K2HPO4, 33% Glycerol