1V9Q

Crystal Structure of an Artificial Metalloprotein:Mn(III)(3,3'-Me2-salophen)/apo-A71G Myoglobin

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-10-22
Detector	RIGAKU RAXIS VII
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
格子定数 [Å]	33.284, 57.848, 75.418
格子定数 [度]	90.00, 90.00, 90.00

精密化法

残基	27.010 - 1.450
R因子	0.206
Rwork	0.206
R-free	0.21800
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1j3f
結合長の平均二乗偏差(RMSD) [Å]	0.004
結合角の平均二乗偏差(RMSD) [度]	1.800
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	CNS (1.0)

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	40.000	1.500
分解能 [Å] (高)	1.450	1.450
Rmerge_l_obs	0.059	0.261
独立反射数	25409
<I/σ(I)>	37.3	5.8
完全性 [%]	95.4	84.7

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, HANGING DROP	6.8	277	sodium, potassium phosphate, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K