3LP3

p15 HIV RNaseH domain with inhibitor MK3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Detector	Saturn 944+
Wavelength(s)	1.54
Spacegroup name	P 31
Unit cell lengths	51.256, 51.256, 112.773
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.880 - 2.800
R-factor	0.23227
Rwork	0.229
R-free	0.28828
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.006
RMSD bond angle	1.029
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.900
High resolution limit [Å]	2.800	6.030	2.800
Rmerge	0.098	0.055	0.359
Number of reflections	8172
<I/σ(I)>	10
Completeness [%]	100.0	99.5	100
Redundancy	5.8	5.8	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	hanging drop	6.8	298	0.1 M Sodium citrate pH 5.0, 15-20% PEG 8000, hanging drop, temperature 298K