7JLJ

Crystal structure of Bacillus subtilis UppS in complex with clomiphene

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	2017-09-30
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97952
Spacegroup name	P 43 21 2
Unit cell lengths	58.501, 58.501, 161.858
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.410 - 3.100
R-factor	0.2264
Rwork	0.221
R-free	0.27070
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]	47.410	47.410	3.310
High resolution limit [Å]	3.100	8.770	3.100
Rmerge	0.316	0.043	1.457
Rmeas	0.335	0.046	1.539
Rpim	0.109	0.017	0.491
Total number of observations	50706	2131	9264
Number of reflections	5598	294	973
<I/σ(I)>	8	28.4	2.2
Completeness [%]	99.9	99.1	99.9
Redundancy	9.1	7.2	9.5
CC(1/2)	0.993	0.999	0.905

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.5	293	PEG 3000, NaCitrate