8ETN

The X-ray Crystal Structure of Tri-Ketone Dioxygenase from Rice

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2017-04-24
Detector	RAYONIX MX300-HS
Wavelength(s)	0.97795
Spacegroup name	P 41
Unit cell lengths	73.565, 73.565, 259.828
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.780 - 3.160
R-factor	0.2762
Rwork	0.274
R-free	0.31750
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	2.002
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	REFMAC (5)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.220
High resolution limit [Å]	3.160	3.170
Rmerge	0.146
Rmeas	0.152
Rpim	0.041
Number of reflections	23553	1150
<I/σ(I)>	31.88	1.42
Completeness [%]	99.9	98.5
Redundancy	14.1	9.9
CC(1/2)		0.812

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	291	0.1 M sodium citrate tribasic dihydrate buffer-pH 5.5; 22% PEG 100.