6TEZ

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

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	2018-11-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	C 2 2 21
Unit cell lengths	98.001, 99.770, 224.461
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.000 - 2.700
R-factor	0.1915
Rwork	0.190
R-free	0.22780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6fxk
RMSD bond length	0.003
RMSD bond angle	0.631
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.000	2.830
High resolution limit [Å]	2.700	2.700
Rmerge	0.138	1.312
Rpim	0.088	0.902
Number of reflections	30477	3911
<I/σ(I)>	9.4	1.3
Completeness [%]	99.5
Redundancy	6.5
CC(1/2)	0.996	0.580

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, 1 mM UDP-Glucuronic Acid