5U7A

Crystal structure of a complex formed between MerB and Dimethyltin

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-11-20
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.10
Spacegroup name	P 1 21 1
格子定数 [Å]	38.055, 88.648, 51.490
格子定数 [度]	90.00, 100.34, 90.00

精密化法

残基	43.980 - 1.532
R因子	0.1748
Rwork	0.173
R-free	0.21050
結合長の平均二乗偏差(RMSD) [Å]	0.011
結合角の平均二乗偏差(RMSD) [度]	1.346
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Quality characteristics

	Overall
分解能 [Å] (低)	50.000
分解能 [Å] (高)	1.530
独立反射数	43607
<I/σ(I)>	16.45
完全性 [%]	86.5
冗長性	3

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, HANGING DROP	5.5	296	23 % polyethylene glycol 2000 MME, 0.2 M sodium acetate pH 5.5, 0.2 M potassium bromide. Before flash freezing, the same precipitant was used except 25% polyethylene glycol 2000 MME was used as a cryo-protectant.