3T43

Crystal Structure of HIV Epitope-Scaffold 4E10_1XIZA_S0_006_C

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	2007-04-17
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	36.060, 65.270, 73.100
Unit cell angles	90.00, 99.57, 90.00

Refinement procedure

Resolution	30.310 - 1.950
R-factor	0.2063
Rwork	0.204
R-free	0.24920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3lf6
RMSD bond length	0.009
RMSD bond angle	1.040
Data reduction software	d*TREK (9.7D)
Data scaling software	d*TREK
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.310	30.310	2.020
High resolution limit [Å]	1.950	4.200	1.950
Rmerge	0.052	0.029	0.273
Rmeas	0.052
Total number of observations	74779	9230	4501
Number of reflections	24452
<I/σ(I)>	12.5	31.7	2
Completeness [%]	99.7	99.4	99.6
Redundancy	3.04	3.6	1.84

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	10% PEG 4000, 20% Isopropanol, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K