30JR

Structure of mouse AsterC (GramD1c) with a novel non-steroidal selective inhibitor

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-09-15
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97627
Spacegroup name	P 41 21 2
Unit cell lengths	49.660, 49.660, 144.872
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.980 - 2.000
R-factor	0.1894
Rwork	0.187
R-free	0.22910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	0.984
Data reduction software	xia2 (0.3.8.0)
Data scaling software	Aimless (9.0.015)
Phasing software	PHASER (9.0.015)
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.290	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.141	1.006
Rmeas	0.147	1.100
Rpim	0.040	0.436
Number of reflections	13021	10399
<I/σ(I)>	15.4	2.3
Completeness [%]	99.9	98.7
Redundancy	22.9	11.4
CC(1/2)	0.999	0.749

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.15 M Potassium bromide 30 % PEG 2000 MME