6A54

Crystal structure of DddK mutant Y64A

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)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	35.142, 57.378, 55.377
Unit cell angles	90.00, 94.09, 90.00

Refinement procedure

Resolution	28.689 - 2.300
R-factor	0.2271
Rwork	0.224
R-free	0.29420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6a53
RMSD bond length	0.007
RMSD bond angle	1.048
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	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.100	0.200
Number of reflections	9674
<I/σ(I)>	29.5
Completeness [%]	95.4	98.9
Redundancy	5.7	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	291	0.1 M Tris (pH 8.5) and 25% PEG3350