4OGR

crystal structure of P-TEFb complex with AFF4 and Tat

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-12
Detector	ADSC QUANTUM 315
Wavelength(s)	1.11
Spacegroup name	P 65 2 2
Unit cell lengths	184.908, 184.908, 360.399
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.015 - 3.000
R-factor	0.2056
Rwork	0.205
R-free	0.23230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4imy
RMSD bond length	0.004
RMSD bond angle	0.805
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (dev_1419)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.050
High resolution limit [Å]	3.000	8.130	3.000
Rmerge	0.222	0.044
Number of reflections	73424
<I/σ(I)>	12
Completeness [%]	100.0	100	100
Redundancy	24.2	22.4	23.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.3	291	Crystallized from 25 mM HEPES pH 7.3, 0.2 M NaCl, 10 mM MgCl, 2.4 M Na formate, VAPOR DIFFUSION, SITTING DROP, temperature 291K