5WM0

Crystal structure of apo wild type peptidylglycine alpha-hydroxylating monooxygenase (PHM) soaked with peptide (peptide not observed)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E DW
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-28
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	59.099, 65.930, 69.809
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.930 - 2.400
R-factor	0.2039
Rwork	0.200
R-free	0.28110
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1phm
RMSD bond length	0.017
RMSD bond angle	1.933
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	6.510	2.440
High resolution limit [Å]	2.400	5.170	2.400
Rmerge	0.075	0.057	0.329
Rmeas	0.082	0.063	0.405
Rpim	0.034	0.026	0.232
Number of reflections	11068	584	461
<I/σ(I)>	15.2
Completeness [%]	99.2	100	88.1
Redundancy	5.5	5.8	2.6
CC(1/2)		0.996	0.843

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	293	19-24% PEG 4000, Tris HCL