5Y9H

Crystal structure of SafDAA-dsc complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-12-10
Detector	MAR CCD 165 mm
Wavelength(s)	0.9793
Spacegroup name	C 1 2 1
Unit cell lengths	133.270, 66.070, 187.680
Unit cell angles	90.00, 96.22, 90.00

Refinement procedure

Resolution	93.288 - 2.800
R-factor	0.2205
Rwork	0.219
R-free	0.25480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2IXQ and 5Y9G
RMSD bond length	0.006
RMSD bond angle	0.993
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	93.300	2.950
High resolution limit [Å]	2.800	2.800
Rmerge	0.140	1.480
Number of reflections	38710
<I/σ(I)>	8.1
Completeness [%]	96.0	96.1
Redundancy	5.9	6
CC(1/2)		0.440

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG4000