5ICG

Crystal structure of apo (S)-norcoclaurine 6-O-methyltransferase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-13
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.7109
Spacegroup name	C 2 2 21
Unit cell lengths	75.380, 99.310, 102.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.655 - 2.600
R-factor	0.2058
Rwork	0.203
R-free	0.25700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5icc
Data reduction software	XSCALE
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.655		2.400
High resolution limit [Å]	2.300	9.300	2.300
Rmerge	0.090	0.028	1.136
Number of reflections	17348
<I/σ(I)>	28.71	71.12	3.07
Completeness [%]	99.9	99	99.5
Redundancy	13.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	277	MPD, Sodium Acetate