1L9K

dengue methyltransferase

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2000-09-09
Detector	MARRESEARCH
Wavelength(s)	0.83211, 1.00474, 1.00850
Spacegroup name	P 31 2 1
Unit cell lengths	111.560, 111.560, 56.330
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 * - 2.400
R-factor	0.275
Rwork	0.231
R-free	0.25000 *
Structure solution method	MAD
RMSD bond length	0.009 *
RMSD bond angle	1.485 *
Data reduction software	DENZO
Data scaling software	CCP4 ((SCALA))
Phasing software	MLPHARE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000 *	2.530
High resolution limit [Å]	2.400	2.400
Rmerge	0.051 *	0.358 *
Number of reflections	16248 *
<I/σ(I)>	17.4	1.7
Completeness [%]	99.6 *	99.6
Redundancy	5.5	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.8	291	sodium citrate 100mM, lithium sulfate 1.2 M, ammonium sulfate 0.5 M, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 291K
1	VAPOR DIFFUSION, HANGING DROP	5.8	291	sodium citrate 100mM, lithium sulfate 1.2 M, ammonium sulfate 0.5 M, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 291K
1	VAPOR DIFFUSION, HANGING DROP	5.8	291	sodium citrate 100mM, lithium sulfate 1.2 M, ammonium sulfate 0.5 M, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	22 (mg/ml)
2	1	reservoir	sodium citrate	0.1 (M)	pH5.8
3	1	reservoir	lithium sulfate	1.2 (M)
4	1	reservoir	ammonium sulfate	0.5 (M)