6DBA

Crystal Structure of VHH R303

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 1 21 1
Unit cell lengths	46.442, 31.193, 74.751
Unit cell angles	90.00, 93.81, 90.00

Refinement procedure

Resolution	40.588 - 1.300
R-factor	0.1622
Rwork	0.161
R-free	0.18230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3stb
RMSD bond length	0.014
RMSD bond angle	1.591
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.590	40.590	1.350
High resolution limit [Å]	1.300	5.810	1.300
Rmerge	0.049	0.028	0.349
Number of reflections	52542
<I/σ(I)>	10.4	18.3	2.5
Completeness [%]	99.1	86.2	95.4
Redundancy	3	2.8	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	0.1 M MES, 25% PEG 8000