1JXI

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

Experimental procedure

実験手法	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
格子定数 [Å]	77.750, 77.750, 183.490
格子定数 [度]	90.00, 90.00, 90.00

精密化法

残基	25.000 - 2.600 *
R因子	0.23 *
Rwork	0.230
R-free	0.27000
Structure solution method	MAD
結合長の平均二乗偏差(RMSD) [Å]	0.007
結合角の平均二乗偏差(RMSD) [度]	23.200 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	CNS
Refinement software	CNS

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	25.000
分解能 [Å] (高)	2.600
Rmerge_l_obs	0.062 *	0.260 *
Total number of observations	186929 *
独立反射数	20166
<I/σ(I)>	10.4
完全性 [%]	99.7	99.6 *
冗長性	4.7	4.8 *

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, HANGING DROP	7.2	18 *	MgSO4, MES, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 291K

文献の結晶化試薬

ID	結晶ID	溶液	試薬名	濃度 (単位) (単位)	詳細
1	1	drop	protein	6 (mg/ml)
2	1	reservoir		1.4 (M)
3	1	reservoir	MES	0.15 (M)	pH7.2