4OWZ

Structure of ECP/H15A mutant.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-12-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 43 2 2
Unit cell lengths	62.543, 62.543, 175.233
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.452 - 1.470
R-factor	0.2067
Rwork	0.206
R-free	0.22330
RMSD bond length	0.007
RMSD bond angle	1.147
Refinement software	PHENIX ((PHENIX.REFINE: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	175.230	1.580
High resolution limit [Å]	1.470	1.470
Rmerge	0.042	0.447
Number of reflections	60201
<I/σ(I)>	34.9	6.8
Completeness [%]	100.0	100
Redundancy	15.9	14.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.2	293	Protein was resuspended in 20mM sodium acetate buffer, pH 5.0, 1 uL of sample mixed with 1 uL of crystallisation buffer (0.1M sodium citrate, pH 5.2; 8% Jeffamine M-600; 10mM iron(III) chloride)