9KS0

E. coli MaeB PTA domain apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-01-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9000
Spacegroup name	P 21 21 21
Unit cell lengths	108.066, 130.026, 169.981
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.876 - 2.800
Rwork	0.214
R-free	0.25920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6zn9
RMSD bond length	0.005
RMSD bond angle	1.218
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.880	2.880
High resolution limit [Å]	2.800	2.800
Rmerge	0.181	1.297
Rmeas	0.196	1.403
Rpim	0.076	0.531
Number of reflections	59681	4598
<I/σ(I)>	9.8	1.8
Completeness [%]	99.9	100
Redundancy	6.6	6.9
CC(1/2)	0.995	0.788

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.2 M Ammonium sulfate, 0.05 M ADA, 13% w/v PEG4000