6C9W

Crystal Structure of a ligand bound LacY/Nanobody Complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	103
Detector technology	CCD
Collection date	2014-09-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.1150
Spacegroup name	P 65 2 2
Unit cell lengths	153.550, 153.550, 193.680
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.757 - 3.000
R-factor	0.277
Rwork	0.276
R-free	0.29500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zyr
RMSD bond length	0.005
RMSD bond angle	0.725
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.757	40.000	3.500
High resolution limit [Å]	3.000	30.000	3.000
Rmerge	0.195	0.014	3.889
Rmeas	0.204	0.015	4.060
Number of reflections	27589	17	10024
<I/σ(I)>	13.95	105.37	0.83
Completeness [%]	99.8	68	99.9
Redundancy	11.856	6.765	12.111
CC(1/2)	0.999	1.000	0.514

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	295	0.1 M MgCl2, 28% PEG1000, 0.1 M Tris-HCl, pH 8.5