6A55

Crystal structure of DddK mutant Y122A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-27
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.978
Spacegroup name	P 1 21 1
Unit cell lengths	36.802, 49.101, 76.226
Unit cell angles	90.00, 100.14, 90.00

Refinement procedure

Resolution	35.135 - 1.600
R-factor	0.1646
Rwork	0.162
R-free	0.21790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6a53
RMSD bond length	0.005
RMSD bond angle	0.940
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.100	0.300
Number of reflections	35370
<I/σ(I)>	37.6
Completeness [%]	98.9	94
Redundancy	6.4	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	291	0.1 M Hepes (pH 7.5) and 25% PEG3350