3EA6

Atomic resolution of crystal structure of SEK

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	46.829, 53.652, 92.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 0.920
R-factor	0.101
Rwork	0.101
R-free	0.12170
Structure solution method	phaser
Starting model (for MR)	1se3
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	0.950
High resolution limit [Å]	0.920	0.920
Number of reflections	140029
<I/σ(I)>	26.79	2.3
Completeness [%]	86.2
Redundancy	9.5	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	PEG, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 277K