4B50

Crystal structure of the HIV-1 gp41 MPER-specific llama VHH 2H10

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	I 2 3
Unit cell lengths	89.950, 89.950, 89.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.600 - 1.300
R-factor	0.1468
Rwork	0.145
R-free	0.17963
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ezj
RMSD bond length	0.008
RMSD bond angle	1.160
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.6.0116)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	1.370
High resolution limit [Å]	1.300	1.300
Rmerge	0.070	0.300
Number of reflections	28043
<I/σ(I)>	6.1	2.2
Completeness [%]	99.0	100
Redundancy	13.9	14.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		9		0.1 M BICINE, 3.2 M (NH4)2SO4, PH 9