1JXH

4-Amino-5-hydroxymethyl-2-methylpyrimidine Phosphate Kinase from Salmonella typhimurium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	100
Detector technology	CCD
Collection date	2000-06-22
Detector	ADSC QUANTUM 4
Wavelength(s)	0.909
Spacegroup name	P 41 21 2
Unit cell lengths	77.724, 77.724, 183.419
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.300
R-factor	0.235 *
Rwork	0.235
R-free	0.27500 *
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	22.950 *
Data reduction software	MOSFLM
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000
High resolution limit [Å]	2.300
Rmerge	0.063 *	0.217 *
Total number of observations	177754 *
Number of reflections	25741 *
<I/σ(I)>	8.3
Completeness [%]	99.9 *	99.9 *
Redundancy	7	7.3 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	18 *	magnesium sulfate, MES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
1	VAPOR DIFFUSION, HANGING DROP	7	18 *	magnesium sulfate, MES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	6 (mg/ml)
2	1	reservoir		1.35 (M)
3	1	reservoir	MES	0.15 (M)	pH7.0