4I2Q

Crystal structure of K103N/Y181C mutant of HIV-1 reverse transcriptase in complex with rilpivirine (TMC278) analogue

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Detector technology	CCD
Collection date	2010-07-13
Detector	ADSC QUANTUM 270
Spacegroup name	C 1 2 1
Unit cell lengths	162.602, 72.953, 108.543
Unit cell angles	90.00, 100.70, 90.00

Refinement procedure

Resolution	43.015 - 2.700
R-factor	0.2146
Rwork	0.211
R-free	0.27680
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.263
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.7.1_743)
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall
Low resolution limit [Å]	43.015
High resolution limit [Å]	2.700
Number of reflections	34228

Crystallization Conditions

crystal ID	method	pH	temperature	details
1