1F9A

CRYSTAL STRUCTURE ANALYSIS OF NMN ADENYLYLTRANSFERASE FROM METHANOCOCCUS JANNASCHII

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-03-20
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	78.768, 112.642, 79.869
Unit cell angles	90.00, 116.94, 90.00

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.215
Rwork	0.215
R-free	0.26400
Structure solution method	SIR
RMSD bond length	0.016
RMSD bond angle	0.040
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	SHELXS
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	20.000
High resolution limit [Å]	2.000	2.000
Rmerge	0.054	0.178
Total number of observations	200580 *
Number of reflections	80232
<I/σ(I)>	8
Completeness [%]	96.0	95.6
Redundancy	2.5	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	4 *	Jeffamine M600, Hepes, cesium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	reservoir	Jeffamine M600	30 (%(v/v))	pH7.0
3	1	reservoir		0.05 (M)
4	1	reservoir	HEPES	0.1 (M)	pH7.5