8TCM

Crystal Structure of modified HIV reverse transcriptase p51 domain (FPC1) with picric acid and Xanthene-1,3,6,8-tetrol 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	2019-12-07
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.514
Spacegroup name	I 2 2 2
Unit cell lengths	77.309, 99.406, 104.747
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.520 - 1.820
R-factor	0.1949
Rwork	0.194
R-free	0.22300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.206
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	1.850
High resolution limit [Å]	1.820	1.820
Rmeas	0.041	0.451
Rpim	0.016	0.266
Number of reflections	36046	1454
<I/σ(I)>	15.1
Completeness [%]	98.7	81.2
Redundancy	6.2	2.4
CC(1/2)		0.897

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: 10% PEG6000, .1M MES pH 6.5