8TCL

Crystal Structure of modified HIV reverse transcriptase p51 domain (FPC2) with picrate bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2019-09-19
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.514
Spacegroup name	I 2 2 2
Unit cell lengths	77.579, 99.624, 104.161
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.620 - 1.950
R-factor	0.1998
Rwork	0.198
R-free	0.22880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.160
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.980
High resolution limit [Å]	1.950	1.950
Rmeas	0.054	0.473
Rpim	0.024	9.268
Number of reflections	28616	1214
<I/σ(I)>	10.7
Completeness [%]	96.1	84.1
Redundancy	4.2
CC(1/2)		0.862

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	protein: 25mg/ml 10mM Tris pH 7.4, 40mM NaCl, 1mM TCEP, 0.25mM azide, 10mM picric acid ML: 20%PEG3350, 0.2M trisodium citrate