5UIX

Crystal Structure of the DH576 CD4bs Fab (unliganded) from the RV305 HIV Vaccine Trial

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-06
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97925
Spacegroup name	C 2 2 21
Unit cell lengths	87.638, 149.725, 74.108
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.819 - 2.501
R-factor	0.2131
Rwork	0.211
R-free	0.25030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jm2 4lss
RMSD bond length	0.004
RMSD bond angle	0.888
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER (2.5.7)
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.550
High resolution limit [Å]	2.510	6.810	2.510
Rmerge	0.219	0.104	0.700
Rmeas	0.248	0.118	0.849
Rpim	0.115	0.054	0.470
Total number of observations	65840
Number of reflections	16590
<I/σ(I)>	3.1
Completeness [%]	96.6	93	94.9
Redundancy	4	4.1	2.7
CC(1/2)		0.990	0.571

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	20% PEG 4000, 100mM Hepes, pH 7.0, 1M NaCl