7JLR

Crystal structure of Bacillus subtilis UppS in complex with JPD447

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	2018-05-30
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97949
Spacegroup name	P 43 21 2
Unit cell lengths	60.115, 60.115, 161.067
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.510 - 2.200
R-factor	0.2038
Rwork	0.201
R-free	0.24870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7jli
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]	48.170	48.170	2.270
High resolution limit [Å]	2.200	9.070	2.200
Rmerge	0.080	0.028	1.340
Rmeas	0.084	0.029	1.395
Rpim	0.024	0.009	0.387
Total number of observations	195859	2852	16993
Number of reflections	15845	296	1332
<I/σ(I)>	17.3	63.3	2
Completeness [%]	100.0	99.7	100
Redundancy	12.4	9.6	12.8
CC(1/2)	1.000	1.000	0.920

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.5	294	PEG 3000, NaCitrate