5CYM

HIV-1 reverse transcriptase complexed with 4-iodopyrazole

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2015-01-09
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	162.842, 73.483, 109.582
Unit cell angles	90.00, 100.67, 90.00

Refinement procedure

Resolution	43.168 - 2.100
R-factor	0.1963
Rwork	0.195
R-free	0.22910
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.019
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (dev_1988)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.073
Number of reflections	144235
<I/σ(I)>	25.9	2
Completeness [%]	98.4	92.8
Redundancy	7.6	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.7	277	50 mM Imidazole pH 6.6, 10% PEG 8k, 5%PEG400, 100 mM A/S, 15 mM MgSO4, 10 mM Spermine, 5 mM TCEP