5XI8

Structure and function of the TPR domain

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	CCD
Collection date	2015-12-15
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9787, 0.9794, 0.9900
Spacegroup name	H 3 2
Unit cell lengths	103.963, 103.963, 81.491
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.121 - 1.700
R-factor	0.1663
Rwork	0.163
R-free	0.19400
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	0.979
Data scaling software	SCALEPACK
Phasing software	SHELX
Refinement software	PHENIX (1.11_2567)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.730
High resolution limit [Å]	1.700	4.610	1.700
Rmerge	0.272	0.066	1.001
Rmeas	0.277	0.067	1.025
Rpim	0.047	0.011	0.219
Total number of observations	716414
Number of reflections	36176
<I/σ(I)>	4.3
Completeness [%]	100.0	99.9	100
Redundancy	38.1	38.8	20.7
CC(1/2)		0.998	0.816

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.9	298	32% PEG 4000, ammonium acetate, KH2PO4, 2% PEG 8000