1JXI

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

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	77.750, 77.750, 183.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.600 *
R-factor	0.23 *
Rwork	0.230
R-free	0.27000
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	23.200 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000
High resolution limit [Å]	2.600
Rmerge	0.062 *	0.260 *
Total number of observations	186929 *
Number of reflections	20166
<I/σ(I)>	10.4
Completeness [%]	99.7	99.6 *
Redundancy	4.7	4.8 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	18 *	MgSO4, MES, pH 7.2, 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		1.4 (M)
3	1	reservoir	MES	0.15 (M)	pH7.2