7T5U

Structure of E. coli MS115-1 CapH N-terminal domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-04-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.00003
Spacegroup name	P 21 21 21
Unit cell lengths	32.374, 39.715, 47.231
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.400 - 1.020
R-factor	0.1637
Rwork	0.163
R-free	0.17640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	ideal alpha helix
RMSD bond length	0.008
RMSD bond angle	0.993
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.720	1.040
High resolution limit [Å]	1.020	1.020
Rmerge	0.067	0.398
Rpim	0.030	0.298
Number of reflections	25495	136
<I/σ(I)>	12.5	2
Completeness [%]	80.8	8.7
Redundancy	5.6
CC(1/2)	0.997	0.754

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M acetate pH 4.5, 2 M ammonium sulfate