1KAM

Structure of Bacillus subtilis Nicotinic Acid Mononucleotide Adenylyl Transferase

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	93
Detector technology	CCD
Collection date	2001-07-01
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9792, 0.9567
Spacegroup name	P 1 21 1
Unit cell lengths	43.977, 126.103, 70.579
Unit cell angles	90.00, 92.73, 90.00

Refinement procedure

Resolution	20.000 - 2.100
Rwork	0.222
R-free	0.25440 *
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	1.347
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.079 *	0.470
Total number of observations	196259 *
Number of reflections	51680 *
<I/σ(I)>		2.4
Completeness [%]	99.9	99.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	18 *	PEG3350, Magnesium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP at 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	14 (mg/ml)
2	1	drop	HEPES	50 (mM)	pH7.5
3	1	drop		50 (mM)
4	1	reservoir	PEG3350	8 (%)
5	1	reservoir		100 (mM)