2V1I

Crystal structure of radiation-induced metmyoglobin - aqua ferrous myoglobin at pH 6.8

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-3
Synchrotron site	ESRF
Beamline	ID14-3
Temperature [K]	100
Detector technology	CCD
Collection date	2001-04-30
Detector	ADSC CCD
Spacegroup name	P 1 21 1
格子定数 [Å]	62.872, 28.762, 35.347
格子定数 [度]	90.00, 106.13, 90.00

精密化法

分解能	21.950 - 1.200
R因子	0.139
Rwork	0.137
R-free	0.16800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1gjn
結合長の平均二乗偏差(RMSD) [Å]	0.054
結合角の平均二乗偏差(RMSD) [度]	0.961
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.2.0019)

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	22.000	1.230
分解能 [Å] (高)	1.200	1.200
Rmerge_l_obs	0.050	0.340
独立反射数	36225
<I/σ(I)>	16.4	3.4
完全性 [%]	94.0	86.6
冗長性	2.7	2

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1		6.8		BATCH METHOD: 6-12 MG/ML MYOGLOBIN, 80-85% OF THE CRYSTALLIZATION STOCK-SOLUTION (3.9 M AMMONIUM SULPHATE, 0.1 M MOPS AND 5-10% OF GLYCEROL PH 6.8)