6TEU

Crystal Structure of full-length Human Lysyl Hydroxylase LH3 - Val80Lys mutant - Cocrystal with Fe2+, Mn2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	C 2 2 21
Unit cell lengths	98.004, 100.691, 225.674
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.140 - 3.000
R-factor	0.2096
Rwork	0.208
R-free	0.24120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6fxk
RMSD bond length	0.003
RMSD bond angle	0.585
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.140	3.180
High resolution limit [Å]	3.000	3.000
Rmerge	0.227	3.045
Rpim	0.186	2.479
Number of reflections	22529	3578
<I/σ(I)>	4.5	0.7
Completeness [%]	98.7
Redundancy	5.1
CC(1/2)	0.986	0.490

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	277	600 mM sodium formate, 12% PGA-LM, 100 mM HEPES/NaOH, 500 uM FeCl2, 500 uM MnCl2