4J93

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

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 21 21 21
Unit cell lengths	40.779, 42.494, 83.279
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.741 - 1.740
R-factor	0.1969
Rwork	0.193
R-free	0.23340
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.789
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.800
High resolution limit [Å]	1.740	1.740
Rmerge	0.047	0.445
Number of reflections	15051
<I/σ(I)>	21
Completeness [%]	96.6	93.2
Redundancy	8.2	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	284	22.5 % PEG8000, 0.1 M TAPS pH 9.0 and 0.1 M NaOAc, VAPOR DIFFUSION, SITTING DROP, temperature 284K