9ULX

crystal structure of apo AbGHMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-09-24
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97914
Spacegroup name	C 2 2 21
Unit cell lengths	125.840, 143.177, 194.198
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.920 - 2.160
R-factor	0.1878
Rwork	0.186
R-free	0.22160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.814
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	94.520	2.280
High resolution limit [Å]	2.160	2.160
Rmerge	0.110	1.202
Rmeas	0.115	1.257
Rpim	0.033	0.363
Total number of observations	1042528	143792
Number of reflections	88618	12364
<I/σ(I)>	15.6	2.6
Completeness [%]	94.3
Redundancy	11.8	11.6
CC(1/2)	0.999	0.803

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Bis-Tris at pH 6.5, 16% (w/v) polyethylene glycol (PEG) 10,000, and 5 mM MgCl2