5XXF

Crystal structure of Poz1, Tpz1 and Rap1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-06-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97861
Spacegroup name	P 21 21 21
Unit cell lengths	81.159, 85.741, 116.044
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 3.100
R-factor	0.2526
Rwork	0.250
R-free	0.30230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5xxe
RMSD bond length	0.007
RMSD bond angle	1.118
Data scaling software	HKL-2000
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.210
High resolution limit [Å]	3.100	6.670	3.100
Rmerge	0.101	0.056	0.732
Rmeas	0.110	0.061	0.801
Rpim	0.043	0.025	0.320
Number of reflections	15449
<I/σ(I)>	5.7
Completeness [%]	100.0	99.8	100
Redundancy	6.5	6.1	6.2
CC(1/2)		0.996	0.819

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7	277	0.2 M Potassium nitrate, 20%(w/v) PEG3350