9XPD

Crystal Structure of Redesigned HasAsm Variant (51-mutation) with Heme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL45XU
Synchrotron site	SPring-8
Beamline	BL45XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-10-15
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	1.000
Spacegroup name	C 2 2 21
Unit cell lengths	30.357, 140.528, 80.708
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.000 - 1.220
Rwork	0.155
R-free	0.17750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.935
Data reduction software	XDS (v Jun 30, 2024)
Data scaling software	Aimless (0.8.2)
Phasing software	MOLREP (11.9.02)
Refinement software	REFMAC (5.8.0430 (refmacat 0.4.100))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	1.240
High resolution limit [Å]	1.220	1.220
Rmerge	0.145
Rmeas	0.152
Rpim	0.043	0.876
Number of reflections	51927	2484
<I/σ(I)>	12.3	1.6
Completeness [%]	99.9	99.4
Redundancy	12.9	13.3
CC(1/2)	0.998	0.659

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	0.1M imidazole-HCl, 1M sodium citrate tribasic