38KC

Progesterone Receptor Ligand Binding Domain bound to Norethindrone

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2026-01-18
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.919901
Spacegroup name	P 1 21 1
Unit cell lengths	55.537, 64.270, 69.612
Unit cell angles	90.00, 96.32, 90.00

Refinement procedure

Resolution	41.000 - 2.030
R-factor	0.2105
Rwork	0.209
R-free	0.24370
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.961
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.000	2.090
High resolution limit [Å]	2.028	2.030
Rmerge	0.199	1.438
Rmeas	0.221	1.611
Rpim	0.096	0.712
Number of reflections	31732	2828
<I/σ(I)>	4.95	0.88
Completeness [%]	99.2	94.31
Redundancy	5.3	5.1
CC(1/2)	0.992	0.360

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298.15	0.2M (NH4)2SO4, 20%w/v PEG 8K, 0.1M MES 6.5 pH