5UCA

Crystal structure of human Heme Oxygenase-2 in complex with Laurate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2016-03-10
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97921
Spacegroup name	P 21 21 21
Unit cell lengths	77.363, 83.920, 138.297
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.650 - 2.117
R-factor	0.1949
Rwork	0.193
R-free	0.24920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5uc8
RMSD bond length	0.007
RMSD bond angle	0.797
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	2.180
High resolution limit [Å]	2.100	4.520	2.100
Rmerge	0.065	0.025	0.385
Rmeas	0.075
Rpim	0.037
Total number of observations	197403
Number of reflections	51449
<I/σ(I)>	17
Completeness [%]	99.4	96.1	99.2
Redundancy	3.8	3.8	3.5
CC(1/2)		0.999	0.869

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.1 M Bis-Tris (pH 6.5) and 24% (w/v) PEG 2000 monomethyl ether