5MB4

Crystal Structure of the Psathyrella asperospora lectin PAL in complex with GlcNAc

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-10-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	H 3 2
Unit cell lengths	120.550, 120.550, 198.950
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.910 - 2.000
R-factor	0.17168
Rwork	0.169
R-free	0.21449
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bwr
RMSD bond length	0.015
RMSD bond angle	1.721
Data reduction software	iMOSFLM (7.1.0)
Data scaling software	Aimless (0.3.11)
Phasing software	PHASER (2.5.6)
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.910	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.078	0.410
Number of reflections	37041
<I/σ(I)>	7.8	2.2
Completeness [%]	98.5	99.4
Redundancy	3.1	3
CC(1/2)	0.996	0.608

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	292	Protein at 10 mg per ml in PBS 2.4M sodium malonate pH 5.0