1YZ3

Structure of human pnmt complexed with cofactor product adohcy and inhibitor SK&F 64139

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2003-08-04
Detector	RIGAKU RAXIS IV
Spacegroup name	P 43 21 2
Unit cell lengths	93.900, 93.900, 188.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.250 - 2.400
R-factor	0.214
Rwork	0.214
R-free	0.24300
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1hnn
RMSD bond length	0.007
RMSD bond angle	1.320
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.250	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.078	0.431
Number of reflections	33827
<I/σ(I)>	10.5	3.3
Completeness [%]	100.0	100
Redundancy	6.93	6.98

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	0.6-0.8M ammonium phosphate, 0.1M sodium citrate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K