6DBF

Crystal Structure of VHH R303 in complex with InlB-LRR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-12-12
Detector	RAYONIX MX-300
Wavelength(s)	0.97950
Spacegroup name	P 43
Unit cell lengths	82.964, 82.964, 64.216
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.664 - 1.550
R-factor	0.1387
Rwork	0.138
R-free	0.16260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dba 1otm
RMSD bond length	0.017
RMSD bond angle	1.374
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	58.664	58.660	1.590
High resolution limit [Å]	1.550	6.930	1.550
Rmerge	0.063	0.034	0.433
Number of reflections	62224
<I/σ(I)>	17.3	34.4	4.3
Completeness [%]	98.3	94.2	96.9
Redundancy	7.6	7	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	0.1 M Tris, 25% PEG 6000