3MI9

Crystal structure of HIV-1 Tat complexed with human P-TEFb

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2009-10-17
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9795
Spacegroup name	P 32 2 1
Unit cell lengths	132.306, 132.306, 95.358
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.630 - 2.100
R-factor	0.219
Rwork	0.219
R-free	0.26400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3blh
RMSD bond length	0.008
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.055	0.520
Number of reflections	51839
<I/σ(I)>	35	3.7
Completeness [%]	90.9	89
Redundancy	2.5	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	295	50 mM HEPES buffer (pH 7.5), 4.25-5% PEG 20,000, 1 mM TCEP, and 20 mM glycyl-glycyl-glycine , VAPOR DIFFUSION, SITTING DROP, temperature 295.0K