4XZ7

Crystal structure of a TGase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	89.133, 91.935, 102.172
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.967 - 2.101
R-factor	0.1943
Rwork	0.192
R-free	0.23610
RMSD bond length	0.008
RMSD bond angle	1.053
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge		0.737
Number of reflections	49556
<I/σ(I)>	26.95	3.25
Completeness [%]	100.0	100
Redundancy	10.2	10.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	291	0.1M Hepes, 0.2M NaCl, 20%(w/v) PEG4000