3D3T

Crystal Structure of HIV-1 CRF01_AE in complex with the substrate p1-p6

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2006-02-12
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 61
Unit cell lengths	62.186, 62.186, 82.099
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.800
R-factor	0.203
Rwork	0.199
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.256
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	2.900
High resolution limit [Å]	2.800	6.010	2.800
Rmerge	0.115	0.066	0.405
Number of reflections	4530
<I/σ(I)>	8.5
Completeness [%]	100.0	100	100
Redundancy	11.3	11.1	11.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.2	295	126mM Phosphate buffer, 63mM Sodium Citrate, 18-33% Ammonium Sulfate, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 295K