1IM8

Crystal structure of YecO from Haemophilus influenzae (HI0319), a methyltransferase with a bound S-adenosylhomocysteine

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	CCD
Collection date	1999-07-03
Detector	BRUKER
Wavelength(s)	0.9782, 0.9778, 0.9537
Spacegroup name	P 61 2 2
Unit cell lengths	74.970, 74.970, 319.120
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.200
R-factor	0.192 *
Rwork	0.186
R-free	0.25700 *
Structure solution method	MAD
RMSD bond length	0.019 *
RMSD bond angle	1.600 *
Data reduction software	X-GEN
Data scaling software	X-GEN
Phasing software	SOLVE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.059	0.351
Total number of observations	174537 *
Number of reflections	51819 *
<I/σ(I)>	13.2
Completeness [%]	93.7 *	74.6
Redundancy	3.2	1.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8 *	295	20 % saturated ammonium sulfate, 100mM NaHepes with protein solution (10mg/ml in 150mM NaCl, 10mM NaHepes, pH 8.0, 1mM DTT and 0.5mM EDTA) , pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop		150 (mM)
3	1	drop	sodium HEPES	10 (mM)
4	1	drop	dithiothreitol	1 (mM)
5	1	drop	EDTA	0.5 (mM)
6	1	reservoir	ammonium sulfate	20 (%sat)
7	1	reservoir	sodium HEPES	0.1 (M)