5H5Y

Structure of Transferase mutant-C23S,C199S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-05
Detector	ADSC QUANTUM 4
Wavelength(s)	1.37
Spacegroup name	P 21 2 21
Unit cell lengths	67.830, 95.550, 120.180
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.770 - 2.300
R-factor	0.221
Rwork	0.219
R-free	0.25961
RMSD bond length	0.017
RMSD bond angle	1.588
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall
Low resolution limit [Å]	47.800
High resolution limit [Å]	2.300
Number of reflections	32318
<I/σ(I)>	21.4
Completeness [%]	96.0
Redundancy	14.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION, RECRYSTALLIZATION	8.5	290	0.8M LiCl2, 0.1M Tris-HCl (pH8.5), 8%(w/v) PEG 3350