7UBT

Stat5a Core in complex with Compound 18

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2021-03-24
Detector	RAYONIX MX-300
Wavelength(s)	0.9787
Spacegroup name	H 3 2
Unit cell lengths	234.889, 234.889, 112.904
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.130 - 2.352
R-factor	0.2007
Rwork	0.199
R-free	0.22570
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.020
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	BUSTER (2.10.4 (3-FEB-2022))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.390
High resolution limit [Å]	2.350	6.370	2.350
Rmerge	0.086	0.039	1.145
Rmeas	0.090	0.041	1.198
Rpim	0.027	0.013	0.353
Total number of observations	564566
Number of reflections	49258	2540	2441
<I/σ(I)>	10.1
Completeness [%]	100.0	99.2	100
Redundancy	11.5	10.7	11.4
CC(1/2)		0.997	0.880

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1.1M Ammonium Tartrate dibasic pH 7.0