5K14

HIV-1 Reverse Transcriptase in complex with a 2,6-difluorophenyl DAPY analog

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	2014-12-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97741
Spacegroup name	C 2 2 21
Unit cell lengths	118.753, 154.577, 153.797
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.268 - 2.402
R-factor	0.2068
Rwork	0.205
R-free	0.26140
RMSD bond length	0.009
RMSD bond angle	1.205
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.450
High resolution limit [Å]	2.400	2.400
Rmerge	0.052	0.630
Number of reflections	58564
<I/σ(I)>	28.7	2.4
Completeness [%]	96.6	98.2
Redundancy	5.5	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	1.0M K/Na tartrate 100mM MES pH 6.0