5H60

Structure of Transferase mutant-C23S,C199S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-03-03
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1
Spacegroup name	P 62 2 2
Unit cell lengths	115.940, 115.940, 100.080
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.870 - 3.640
R-factor	0.25513
Rwork	0.254
R-free	0.28485
RMSD bond length	0.009
RMSD bond angle	1.320
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall
Low resolution limit [Å]	70.000
High resolution limit [Å]	3.600
Number of reflections	4558
<I/σ(I)>	28.7
Completeness [%]	100.0
Redundancy	20

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION, RECRYSTALLIZATION	7	290	0.1M Bis-Tris propane-HCl (pH 7.0), 1.0M ammonium citrate tribasic