4E92

Crystal Structure of the N-Terminal Domain of HIV-1 Capsid in Complex With Inhibitor BM4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	81.709, 81.709, 90.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.865 - 1.800
R-factor	0.2225
Rwork	0.220
R-free	0.26360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.806
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.7_650)
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.048	0.510
Number of reflections	28153
<I/σ(I)>	14.8
Completeness [%]	97.3	97.2
Redundancy	15.6	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	284	0.5M Na/K tartrate, 0.2M NaI, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 284K