3MNV

Crystal structure of the non-neutralizing HIV antibody 13H11 Fab fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2009-08-10
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 61
Unit cell lengths	158.378, 158.378, 92.975
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.278 - 2.400
R-factor	0.1826
Rwork	0.181
R-free	0.22780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mhh 1tjg
RMSD bond length	0.008
RMSD bond angle	1.075
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: dev_271))

Data quality characteristics

	Overall
Low resolution limit [Å]	45.278
High resolution limit [Å]	2.400
Rmerge	0.058
Number of reflections	51525
<I/σ(I)>	11.4
Completeness [%]	99.2
Redundancy	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		298	Qiagen AmSO4 suite, reservoir: 2.2 M ammonium sulfate, 0.2 M lithium nitrate. Drop: 0.5 uL protein + 0.5 uL reservoir., VAPOR DIFFUSION, temperature 298K