6NCK

Crystal structure of H108A peptidylglycine alpha-hydroxylating monooxygenase (PHM)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-03
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 21
Unit cell lengths	59.310, 65.880, 69.750
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.080 - 2.700
R-factor	0.2233
Rwork	0.220
R-free	0.29490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ao6
RMSD bond length	0.008
RMSD bond angle	1.541
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.080	44.080	2.770
High resolution limit [Å]	2.700	12.080	2.700
Rmerge	0.130	0.087	0.606
Rmeas	0.145	0.097	0.692
Total number of observations	38364
Number of reflections	7872	104	574
<I/σ(I)>	8.19	12.79	2.68
Completeness [%]	99.6	94.5	99.1
Redundancy	4.873	4.212	4.054
CC(1/2)	0.991	0.990	0.815

Crystallization Conditions

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