9JDO

LCN2 in complex with phosphoserine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-06-30
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97923
Spacegroup name	P 41 21 2
Unit cell lengths	53.107, 53.107, 126.244
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.950 - 2.850
R-factor	0.2362
Rwork	0.233
R-free	0.28570
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.617
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.19_4092: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.950	3.000
High resolution limit [Å]	2.850	2.850
Rmerge	0.104	1.329
Rmeas	0.108	1.368
Rpim	0.026	0.319
Total number of observations	76437	11799
Number of reflections	4674	662
<I/σ(I)>	23.4	2.6
Completeness [%]	100.0
Redundancy	16.4	17.8
CC(1/2)	0.999	0.803

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Tris-Hcl pH 7.9, 20% PEG4000