7OON

The X-ray structure of heme-bound murine HEBP1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-13
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.282
Spacegroup name	C 1 2 1
Unit cell lengths	63.493, 79.492, 85.074
Unit cell angles	90.00, 102.01, 90.00

Refinement procedure

Resolution	48.940 - 2.800
R-factor	0.2112
Rwork	0.210
R-free	0.23180
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3r8j
Data reduction software	XDS
Data scaling software	Aimless (0.5.25)
Phasing software	BALBES
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.940	48.940	2.950
High resolution limit [Å]	2.780	8.250	2.780
Rmerge	0.147	0.050	1.862
Rmeas	0.185	0.063	2.345
Total number of observations	49603
Number of reflections	19098	756	3014
<I/σ(I)>	5.78	17.39	0.63
Completeness [%]	93.5	95.3	90.7
Redundancy	2.597	2.472	2.508
CC(1/2)	0.987	0.993	0.134

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	30% PEG 5000 MME, 0.1 M MES pH 6.5, 0.2 M ammonium sulfate