6EVM

Crystal structure of a Pro-9 complexed peptide-substrate-binding domain of human type II collagen prolyl 4-hydroxylase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	CCD
Collection date	2016-08-11
Detector	Nonius Kappa CCD
Wavelength(s)	1.54
Spacegroup name	P 32 2 1
Unit cell lengths	56.899, 56.899, 67.871
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.875 - 2.000
R-factor	0.1746
Rwork	0.170
R-free	0.21910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6evl
RMSD bond length	0.006
RMSD bond angle	0.891
Data reduction software	XPREP (Proteum 2 package)
Data scaling software	SADABS (Proteum 2 package)
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.900	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.061	0.358
Rpim	0.019	0.210
Number of reflections	8956	384
<I/σ(I)>	25.7	2.6
Completeness [%]	99.4	93.9
Redundancy	10.7	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	2.45 M ammonium sulphate, 10% DMSO, 2.5 mM Pro-9, 4% hexenediol, 100 mM MOPS