5NWP

Crystal Structure of the Lectin Domain From the F17-like Adhesin, UclD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2010-01-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.008
Spacegroup name	P 1 21 1
Unit cell lengths	30.089, 91.871, 64.932
Unit cell angles	90.00, 96.46, 90.00

Refinement procedure

Resolution	91.870 - 1.050
R-factor	0.11839
Rwork	0.117
R-free	0.14252
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Se-SAD model
RMSD bond length	0.027
RMSD bond angle	2.232
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	SHELXD
Refinement software	REFMAC (5.8.0124)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	91.870	37.430	1.110
High resolution limit [Å]	1.050	3.320	1.050
Rmerge	0.079	0.054	0.336
Rpim	0.034	0.022	0.308
Number of reflections	144393	5234	10354
<I/σ(I)>	11.9	31.1	2.1
Completeness [%]	88.8	99.9	43.8
Redundancy	5	7.2	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	16% PEG 4000, 0.1M Tris HCl pH 8.5, 0.2M MgCl2