5EGF

The crystal structure of SeMet-CT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-11-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.987
Spacegroup name	C 1 2 1
Unit cell lengths	216.602, 100.284, 128.230
Unit cell angles	90.00, 100.18, 90.00

Refinement procedure

Resolution	29.750 - 2.290
R-factor	0.226
Rwork	0.225
R-free	0.26600
RMSD bond length	0.009
RMSD bond angle	1.204
Phasing software	PHENIX
Refinement software	PHENIX (1.7_650)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.330
High resolution limit [Å]	2.290	2.290
Rmerge		0.090
Number of reflections	113585
<I/σ(I)>	9	1.5
Completeness [%]	94.3	97.4
Redundancy	3.6	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	Sodium malnate, Bis-Tris propane, PEG 3350