27AG

Crystal structure of the de novo designed miniprotein Gpx15 in the P 42 21 2 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	2026-05-06
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.978930
Spacegroup name	P 42 21 2
Unit cell lengths	86.943, 86.943, 142.468
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.680 - 2.600
R-factor	0.234
Rwork	0.232
R-free	0.28160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.946
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.490	2.720
High resolution limit [Å]	2.600	2.600
Rmerge	0.235	1.986
Rmeas	0.239	2.021
Rpim	0.045	0.372
Number of reflections	17522	2098
<I/σ(I)>	16.9	2
Completeness [%]	100.0	100
Redundancy	28.2	29.2
CC(1/2)	0.999	0.872

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	6	277	0.01M Zinc chloride, 0.1M MES pH 6, 20% PEG 6000; 31mg/ml miniprotein