4E4Z

Oxidized (Cu2+) peptidylglycine alpha-hydroxylating monooxygenase (PHM) in complex with hydrogen peroxide (1.98 A)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X6A
Synchrotron site	NSLS
Beamline	X6A
Temperature [K]	100
Detector technology	CCD
Collection date	2011-04-21
Detector	ADSC QUANTUM 210
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	68.503, 68.513, 81.472
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.220 - 1.980
R-factor	0.2063
Rwork	0.204
R-free	0.24420
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.009
RMSD bond angle	1.216
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	2.000
High resolution limit [Å]	1.970	5.330	1.970
Rmerge	0.063	0.040	0.692
Number of reflections	26738
<I/σ(I)>	14.2
Completeness [%]	97.4	90.9	95.1
Redundancy	11.8	10.7	9.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	291	pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K