3QIO

Crystal Structure of HIV-1 RNase H with engineered E. coli loop and N-hydroxy quinazolinedione inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-10-25
Detector	ADSC QUANTUM 210
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	42.905, 56.352, 64.038
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.176 - 1.401
R-factor	0.1978
Rwork	0.196
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hrh
RMSD bond length	0.005
RMSD bond angle	0.932
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.430
High resolution limit [Å]	1.400	1.400
Rmerge	0.060	0.497
Number of reflections	30610
<I/σ(I)>	19.3	1.7
Completeness [%]	98.0	83.1
Redundancy	5.3	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	15% PEG 3350, 100mM HEPES pH 7.5, and 200mM LiSO4, VAPOR DIFFUSION, HANGING DROP, temperature 293K