8FUH

Rubrerythrin from B. pseudomallei: apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-05-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.92010
Spacegroup name	H 3
Unit cell lengths	202.373, 202.373, 70.329
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.748 - 1.852
Rwork	0.150
R-free	0.18750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.416
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.210	29.210	1.880
High resolution limit [Å]	1.850	10.140	1.850
Rmerge	0.101	0.046	0.676
Rmeas	0.138	0.063	0.934
Rpim	0.093	0.043	0.643
Number of reflections	90867	533	4220
<I/σ(I)>	6.5
Completeness [%]	99.4
Redundancy	3.6	3.4	3.3
CC(1/2)	0.993	0.995	0.608

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	296	0.5 M lithium sulfate, 0.1 M bis-tris propane, pH 7.0