9DM9

HIV-RT pre-catalytic complex with MK-8527

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-08-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	163.906, 170.810, 101.453
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.500 - 2.730
R-factor	0.202
Rwork	0.201
R-free	0.22840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.209
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHENIX
Refinement software	PHENIX ((1.19.2_4158: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	85.405	3.073
High resolution limit [Å]	2.730	2.733
Rmerge	0.138	1.150
Number of reflections	23212	1161
<I/σ(I)>	6.2	1.5
Completeness [%]	61.0
Redundancy	6.8
CC(1/2)	0.996	0.665

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	8% PEG 4000, 25 mM MES pH 7.0, and 5 mM MgSO4 at a 2:1 protein : precipitant ratio