3MLJ

Reduced (Cu+) peptidylglycine alpha-hydroxylating monooxygenase (PHM) with bound carbon monooxide (CO)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	69.226, 68.860, 81.744
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.000 - 2.150
Rwork	0.210
R-free	0.26000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1phm
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.000
High resolution limit [Å]	2.150	2.150
Number of reflections	21690
<I/σ(I)>	29.7	2.6
Completeness [%]	98.1	99.4
Redundancy	4.5	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	Crystallization: 1.8 mM NiCl2, 100mM sodium cacodylate pH=5.5, and 3mM sodium azide. The crystal was soaked in 5mM ascorbic acid and then CO-soaked in a chamber at 50 psi CO for 15 minutes., VAPOR DIFFUSION, HANGING DROP, temperature 293K