3KQY

Crystal Structure of hPNMT in Complex AdoHcy and 2-amino-1H-benzo[d]imidazol-7-ol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-09-04
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	94.525, 94.525, 188.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.262 - 2.200
R-factor	0.229
Rwork	0.228
R-free	0.26200
Starting model (for MR)	1hnn
RMSD bond length	0.004
RMSD bond angle	0.956
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.260	47.260	2.280
High resolution limit [Å]	2.200	4.740	2.200
Rmerge	0.056	0.030	0.503
Total number of observations		19053	18108
Number of reflections	44046
<I/σ(I)>	10	29.7	2.1
Completeness [%]	99.8	98.4	100
Redundancy	4.19	4.02	4.15

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.8	298	PEG6K, LiCl, cacodylate, pH 5.8, vapor diffusion, hanging drop, temperature 298K