5GZZ

Crystal Structure of FIN219-SjGST complex with JA

Experimental procedure

Experimental method	LAUE
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13C1
Synchrotron site	NSRRC
Beamline	BL13C1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-03-30
Detector	RAYONIX MX-300
Wavelength(s)	0.97620-0.97622
Spacegroup name	P 1
Unit cell lengths	57.274, 91.802, 91.728
Unit cell angles	89.99, 89.99, 89.93

Refinement procedure

Resolution	26.209 - 2.386
R-factor	0.2067
Rwork	0.204
R-free	0.23360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4epl
RMSD bond length	0.008
RMSD bond angle	1.481
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.490
High resolution limit [Å]	2.400	5.170	2.400
Rmerge	0.050	0.028	0.439
Total number of observations	141298
Number of reflections	73703
<I/σ(I)>	10.1
Completeness [%]	97.5	96	97.5
Redundancy	1.9	2	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	297	0.2 M Magnesium chloride hexahydrate, 0.1 M Tris-HCl, 40%(w/v) PEG 4000