6BPT

Crystal structure of ferrous form of the uncrosslinked F2-Tyr157 human cysteine dioxygenase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2017-10-13
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.97919
Spacegroup name	P 65
Unit cell lengths	131.783, 131.783, 34.316
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.042 - 2.402
R-factor	0.1607
Rwork	0.156
R-free	0.20180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ic1
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.440
High resolution limit [Å]	2.400	6.510	2.400
Rmerge	0.217	0.075	0.926
Rmeas	0.228	0.079	0.981
Rpim	0.071	0.025	0.316
Number of reflections	13429	730	631
<I/σ(I)>	4.1
Completeness [%]	98.1	98	92.5
Redundancy	10	10.3	8.7
CC(1/2)		0.998	0.687

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	0.1 M MES, 2 M ammonium sulfate, 2% PEG400