27AH

Crystal structure of the de novo designed miniprotein Gpx15 in the C121 space group.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	RRCAT INDUS-2 BEAMLINE PX-BL21
Synchrotron site	RRCAT INDUS-2
Beamline	PX-BL21
Temperature [K]	100
Detector technology	CCD
Collection date	2026-02-24
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.978930
Spacegroup name	C 1 2 1
Unit cell lengths	83.098, 34.119, 61.669
Unit cell angles	90.00, 101.49, 90.00

Refinement procedure

Resolution	30.220 - 1.400
R-factor	0.1877
Rwork	0.186
R-free	0.21350
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.540
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.720	1.420
High resolution limit [Å]	1.400	1.400
Rmerge	0.059	0.882
Rmeas	0.064	0.949
Rpim	0.023	0.348
Number of reflections	33408	1627
<I/σ(I)>	18.8	2.3
Completeness [%]	99.1	96.2
Redundancy	7.4	7.3
CC(1/2)	0.999	0.778

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	4	277	0.1M MIB buffer pH 4, 25% PEG 1500; 31mg/ml miniprotein