36LX

Crystal Structure of mini-binder MB03-ds

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	2025-12-02
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.91992
Spacegroup name	P 21 21 21
Unit cell lengths	44.265, 57.412, 93.432
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 2.100
R-factor	0.2568
Rwork	0.253
R-free	0.28820
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.476
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21.2_5419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.160
High resolution limit [Å]	2.100	2.100
Rmerge	0.135	0.945
Rpim	0.084	0.414
Number of reflections	14230	1036
<I/σ(I)>	7.9	1.6
Completeness [%]	98.0	90.3
Redundancy	8	5.1
CC(1/2)	0.995	0.719

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	24 %(w/v) PEG 1500 and 20% (w/v) Glycerol