7UC6

Stat5a Core in complex with Compound 12

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	237.674, 237.674, 112.811
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.820 - 3.101
R-factor	0.1972
Rwork	0.195
R-free	0.24290
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	3.150
High resolution limit [Å]	3.100	8.400	3.100
Rmerge	0.130	0.031	1.403
Rmeas	0.136	0.032	1.468
Rpim	0.040	0.010	0.433
Total number of observations	253749
Number of reflections	22212	1168	1110
<I/σ(I)>	5.3
Completeness [%]	100.0	99.9	100
Redundancy	11.4	10.5	11.5
CC(1/2)		0.999	0.912

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1.1M Sodium Malonate pH 7.0, 0.1M Hepes pH 7.0, 0.5% Jeffamine ED-2001 pH 7.0