9BK7

Structure of SHRT_binder

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	2024-03-13
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9201
Spacegroup name	I 41 2 2
Unit cell lengths	75.334, 75.334, 108.344
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.170 - 2.580
R-factor	0.2
Rwork	0.197
R-free	0.22430
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.608
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (dev_4761)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.170	2.840
High resolution limit [Å]	2.580	2.580
Rmerge	0.246	1.069
Rpim	0.051	0.215
Number of reflections	5179	1262
<I/σ(I)>	13.3	4.13
Completeness [%]	99.8	99.92
Redundancy	24.6	25.2
CC(1/2)	0.999	0.982

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	0.08 M Sodium acetate trihydrate pH 4.6, 1.6 M Ammonium sulfate and 20% (v/v) glycerol