3R0M

Crystal structure of anti-HIV llama VHH antibody A12

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	200
Detector technology	CCD
Collection date	2010-06-19
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	57.884, 64.268, 81.493
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.413 - 1.500
R-factor	0.194
Rwork	0.193
R-free	0.21660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.948
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.550
High resolution limit [Å]	1.500	1.500
Number of reflections	47240
<I/σ(I)>		2.2
Completeness [%]	95.5	74.9
Redundancy		3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1 M imidazole pH 6.5, 1.4 M ammonium sulfate, 12% iso-propanol, VAPOR DIFFUSION, HANGING DROP, temperature 293K