3MIC

Oxidized (Cu2+) peptidylglycine alpha-hydroxylating monooxygenase (PHM) with bound azide obtained by co-crystallization

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-05-09
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	68.454, 68.579, 81.409
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	52.000 - 2.420
R-factor	0.19912
Rwork	0.196
R-free	0.26435
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1phm
RMSD bond length	0.008
RMSD bond angle	1.072
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.000	2.510
High resolution limit [Å]	2.400	2.420
Number of reflections	15128
<I/σ(I)>	25.2	3.1
Completeness [%]	99.5	99.9
Redundancy	5	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	Co-crystallization: 0.1-0.5mM CuSO4, 1.25mM NiCl2, 100mM sodium cacodylate pH=5.5, 40mM sodium azide and 5% glycerol., VAPOR DIFFUSION, HANGING DROP, temperature 293K