5TVU

Crystal structure of mitochondrial Hsp90 (TRAP1) with ATP in absence of Mg

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]	91.4
Detector technology	CCD
Collection date	2015-08-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.1159
Spacegroup name	C 1 2 1
Unit cell lengths	175.881, 96.990, 124.961
Unit cell angles	90.00, 134.57, 90.00

Refinement procedure

Resolution	39.759 - 3.500
R-factor	0.2272
Rwork	0.225
R-free	0.26950
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ipe
RMSD bond length	0.001
RMSD bond angle	0.444
Data reduction software	iMOSFLM (7.2.1)
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.520	2.390
High resolution limit [Å]	2.300	2.300
Number of reflections	61835
<I/σ(I)>	2.2
Completeness [%]	93.4
Redundancy	1.8
CC(1/2)	0.734

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	0.2 M NaK Tartrate, 20% (v/v) PEG3350, 36 mM hexamine cobalt, 5 mM ATP,5 mM EDTA