8TCJ

Apo crystal Structure of modified HIV reverse transcriptase p51 domain (FPC2)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-09-04
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.514
Spacegroup name	P 31 2 1
Unit cell lengths	105.080, 105.080, 54.531
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.776 - 1.848
R-factor	0.2177
Rwork	0.216
R-free	0.25230
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.257
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.16_3549: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.880
High resolution limit [Å]	1.848	1.850
Rmeas	0.039
Number of reflections	29994	1497
<I/σ(I)>	24.3
Completeness [%]	100.0	100
Redundancy	11.2	2.2
CC(1/2)		0.883

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	Protein: 25mg/ml FPC2, 50mM NaCl, 10mM Tris pH 7.0, 1mM TCEP, 5%DMSO, 0.25mM azide, 5mM fisetin Res: 25% PEG1500, 0.1M TBG pH 7.0