8UYR

Manganese-substituted DitZ from Rhodococcus Rhodochrous

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-28
Detector	DECTRIS PILATUS 12M
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	63.744, 92.693, 145.122
Unit cell angles	90.00, 99.94, 90.00

Refinement procedure

Resolution	39.440 - 1.820
R-factor	0.1625
Rwork	0.162
R-free	0.19310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.983
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.440	1.885
High resolution limit [Å]	1.820	1.820
Number of reflections	68822	4565
<I/σ(I)>	13.83
Completeness [%]	92.4	61.37
Redundancy	6.8	5.5
CC(1/2)	0.998	0.625

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	300	0.16 M MgCl2, 0.08 M Tris pH 8.5, 16.8% PEG 4000, 20% v/v glycerol