5M0T

Alpha-ketoglutarate-dependent non-heme iron oxygenase EasH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-03-06
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	40.250, 100.170, 148.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.470 - 2.200
R-factor	0.2191
Rwork	0.218
R-free	0.24430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4nao
RMSD bond length	0.009
RMSD bond angle	1.378
Data reduction software	XDS
Data scaling software	Aimless (0.5.7)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.470	47.470	2.260
High resolution limit [Å]	2.200	9.840	2.200
Rmerge	0.151	0.035	1.413
Number of reflections	31397
<I/σ(I)>	8.7		1.3
Completeness [%]	99.7	99	99.5
Redundancy	5.9	4.8	5.7
CC(1/2)	0.996	0.999	0.539

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	NULL