8GBK

Dri1 hemoprotein variant H79A-R90A with a zinc-mirror heme site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-05-23
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.920
Spacegroup name	P 43
Unit cell lengths	91.815, 91.815, 144.306
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.940 - 2.900
R-factor	0.3097
Rwork	0.311
R-free	0.32570
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.230
Data reduction software	XDS (Jan 10, 2022)
Data scaling software	Aimless (0.7.7)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.940	3.020
High resolution limit [Å]	2.900	2.900
Rmerge	0.135	0.972
Rmeas	0.157	1.130
Rpim	0.079	0.570
Number of reflections	26403	2612
<I/σ(I)>	5.6	1.6
Completeness [%]	93.5	48.8
Redundancy	3.9	3.9
CC(1/2)	0.994	0.689

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1 M sodium acetate, 0.2 M sodium chloride, 0.75-1.5 M ammonium sulfate