5MXF

Photorhabdus asymbiotica lectin (PHL) in complex with alpha-methyl fucoside

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-12-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 31 2 1
Unit cell lengths	81.249, 81.249, 113.231
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.110 - 1.900
R-factor	0.16871
Rwork	0.167
R-free	0.19573
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5mxe
RMSD bond length	0.009
RMSD bond angle	1.306
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.110	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.076	0.457
Number of reflections	34705	4975
<I/σ(I)>	22.4	5.3
Completeness [%]	100.0	100
Redundancy	10.7	11
CC(1/2)	0.999	0.945

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	290	3.7-4.3 M NaCl, 100 mM Hepes pH 7.5