8HB2

Crystal structure of Caenorhabditis elegans NMAD-1 in complex with ligand II

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	293
Detector technology	PIXEL
Collection date	2022-09-13
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9793
Spacegroup name	C 1 2 1
Unit cell lengths	180.237, 75.386, 117.215
Unit cell angles	90.00, 112.53, 90.00

Refinement procedure

Resolution	30.190 - 3.060
R-factor	0.2888
Rwork	0.275
R-free	0.29570
Structure solution method	AB INITIO PHASING
RMSD bond length	0.010
RMSD bond angle	1.382
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	BALBES
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.250	3.230
High resolution limit [Å]	3.060	3.060
Rmerge	0.098
Number of reflections	26508	26508
<I/σ(I)>	10.5
Completeness [%]	95.7
Redundancy	4.4
CC(1/2)	0.997	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	289	25% PEG 4000, 100 mM MES pH 5.6