8BV3

Bacillus subtilis DnaA domain III structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-02-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.99987
Spacegroup name	P 32
Unit cell lengths	81.578, 81.578, 223.196
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	74.399 - 2.380
R-factor	0.1931
Rwork	0.191
R-free	0.23870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1l8q
Data reduction software	autoPROC (1.0.5 (20211020))
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.399	2.520
High resolution limit [Å]	2.380	2.380
Rmerge	0.179	1.461
Rmeas	0.189	1.583
Rpim	0.060	0.599
Number of reflections	56743	2842
<I/σ(I)>	10.1	1.5
Completeness [%]	85.3	27.2
Redundancy	9.7	6.7
CC(1/2)	0.996	0.461

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		293.15	Morpheus H3: 0.02 M DL-Glutamic acid monohydrate, 0.02 M DL-Alanine, 0.0 2M Glycine, 0.2M DL-Lysine monohydrochloride, 0.02M DL-Serine, 0.1 M Imidazole/ MES monohydrate pH 6.5, 20% v/v Glycerol, 20% w/v PEG 4000