104M

SPERM WHALE MYOGLOBIN N-BUTYL ISOCYANIDE AT PH 7.0

Experimental procedure

Source type	ROTATING ANODE
Source details	SIEMENS
Temperature [K]	292
Detector technology	IMAGE PLATE
Collection date	1994-03
Detector	RIGAKU
Spacegroup name	P 1 21 1
格子定数 [Å]	64.730, 30.910, 34.828
格子定数 [度]	90.00, 105.41, 90.00

精密化法

残基	5.000 - 1.710
R因子	0.154
Rwork	0.154
R-free	0.22500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	SPERM WHALE MYOGLOBIN NBNC MINUS LIGAND
結合長の平均二乗偏差(RMSD) [Å]	0.009
結合角の平均二乗偏差(RMSD) [度]	1.400
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	X-PLOR (3.851)
Refinement software	X-PLOR (3.851)

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	6.000	1.720
分解能 [Å] (高)	1.710	1.710
Rmerge_l_obs	0.040	0.172
独立反射数	13484
完全性 [%]	92.0	92.4
冗長性	3.19	3.03

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1		7		3.0 M AMMONIUM SULFATE, UNBUFFERED, pH 7.0