6U7V

xRRM structure of spPof8

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-05-01
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97932, 0.97600, 1.37755
Spacegroup name	P 31 2 1
Unit cell lengths	57.672, 57.672, 71.014
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.890 - 1.420
R-factor	0.1709
Rwork	0.170
R-free	0.19060
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	2.049
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXDE
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.420
High resolution limit [Å]	1.400	3.800	1.400
Rmerge	0.041	0.028	0.432
Rmeas	0.043	0.030	0.459
Rpim	0.015	0.011	0.156
Total number of observations	237237
Number of reflections	27356	1408	1353
<I/σ(I)>	23.4
Completeness [%]	99.7	94	100
Redundancy	8.7	7.9	8.6
CC(1/2)		0.999	0.926

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		290	19-21.5% PEG3350, 50 mM Hepes pH 7.5, 90-110 mM Na Nitrate for Se-Met