4HQQ

Crystal structure of RV144-elicited antibody CH58

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	200
Detector technology	CCD
Collection date	2012-02-06
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	62.949, 70.440, 135.825
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.843 - 2.400
R-factor	0.1852
Rwork	0.183
R-free	0.22510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB entries 3H0T 3UJJ
RMSD bond length	0.004
RMSD bond angle	0.871
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.440
High resolution limit [Å]	2.400	2.400
Rmerge		0.506
Number of reflections	23741
Completeness [%]	97.7	82.8
Redundancy		3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.2	293	38% (w/v) PEG 8000, 0.2 M NaCl, 0.1 M sodium phosphate-citrate pH 4.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K