5IL9

Crystal structure of Deg9

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-13
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9793
Spacegroup name	I 4
Unit cell lengths	132.047, 132.047, 154.157
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.932 - 2.200
R-factor	0.1828
Rwork	0.180
R-free	0.22780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fln
RMSD bond length	0.008
RMSD bond angle	0.937
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.078	0.787
Number of reflections	66736
<I/σ(I)>	25.2
Completeness [%]	100.0
Redundancy	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.2M Ammonium acetate, 0.1M Hepes pH7.5, 45% v/v MPD