5CJH

Crystal Structure of Eukaryotic Oxoiron MagKatG2 at pH 8.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-07-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9717
Spacegroup name	P 21 21 21
Unit cell lengths	103.530, 109.540, 132.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.940 - 1.600
R-factor	0.16597
Rwork	0.165
R-free	0.18992
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ut2
RMSD bond length	0.008
RMSD bond angle	1.394
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.640
High resolution limit [Å]	1.600	1.600
Rmerge	0.099	0.730
Number of reflections	196582
<I/σ(I)>	11.2	2.4
Completeness [%]	99.5	99.3
Redundancy	4.5	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	277	15% PEG4000, 0.1 M sodium acetate, pH 4.6 (+ PAA soaking + pH 8.5 soaking)