7JLI

Crystal structure of Bacillus subtilis UppS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-08-08
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97857
Spacegroup name	P 43 21 2
Unit cell lengths	59.539, 59.539, 161.798
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.100 - 1.800
R-factor	0.1882
Rwork	0.187
R-free	0.21230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wyi
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.950	47.950	1.840
High resolution limit [Å]	1.800	9.000	1.800
Rmerge	0.076	0.031	2.454
Rmeas	0.079	0.032	2.554
Rpim	0.023	0.010	0.704
Total number of observations	343175	2987	20848
Number of reflections	27983	299	1605
<I/σ(I)>	17.5	53	1.1
Completeness [%]	100.0	99.5	100
Redundancy	12.3	10	13
CC(1/2)	0.999	0.999	0.563

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	PEG 3000, sodium citrate