4EWX

Human Insulin

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	293
Detector technology	CCD
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	H 3
格子定数 [Å]	81.960, 81.960, 33.750
格子定数 [度]	90.00, 90.00, 120.00

精密化法

残基	40.980 - 2.201
R因子	0.1605
Rwork	0.154
R-free	0.23970
Structure solution method	MOLECULAR REPLACEMENT
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]	1.225
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC (5.6.0117)

Quality characteristics

	Overall	Inner shell	Outer shell
分解能 [Å] (低)	40.980	20.490	2.320
分解能 [Å] (高)	2.201	6.960	2.201
Rmerge_l_obs		0.027	0.139
Total number of observations		393	1442
独立反射数	3848
<I/σ(I)>	14.6	22.9	3.7
完全性 [%]	89.6	86.7	73.6
冗長性	3.3	3.3	3.1

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	0.1 M sodium phosphate, pH 5.5, 10% w/v PEG6000, cryoprotectant: mother liquor + 10% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K