3H58

Myoglobin Cavity Mutant H64LV68N Met form

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-04-12
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 6
格子定数 [Å]	90.130, 90.130, 45.260
格子定数 [度]	90.00, 90.00, 120.00

精密化法

残基	39.030 - 1.800
Rwork	0.196
R-free	0.21900
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2mbw
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]	1.000
Data reduction software	CrystalClear
Data scaling software	d*TREK
Phasing software	CNS
Refinement software	CNS (1.1)

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	39.030	1.590
分解能 [Å] (高)	1.540	1.540
Rmerge_l_obs	0.035	0.111
Total number of observations		580
独立反射数	26335
<I/σ(I)>	18.9	3
完全性 [%]	84.0	17.4
冗長性	2.62	1.04

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	Batch Method	9	293	Protein Solution (20mg/ml protein in 0.02M Tris.HCl pH9.0) mixed with mother liquor (3.2M Ammonium Sulphate, 0.05M Tris.HCl, pH9.0) for final concentrations of 2.5M Ammonium Sulphate, Batch Method, temperature 293K