4K3D

Crystal structure of bovine antibody BLV1H12 with ultralong CDR H3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-29
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.033
Spacegroup name	P 21 21 21
Unit cell lengths	71.410, 127.600, 127.870
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.427 - 1.850
R-factor	0.1838
Rwork	0.182
R-free	0.21040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1BVK and 2FB4
RMSD bond length	0.008
RMSD bond angle	1.139
Data reduction software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.940
High resolution limit [Å]	1.850	1.850
Number of reflections	100271
<I/σ(I)>	21.5	2.5
Completeness [%]	98.2	92.3
Redundancy	6.5	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.27 M potassium citrate and 22% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 295K