6FMW

IMISX-EP of Hg-BacA cocrystallization

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.9
Spacegroup name	C 2 2 2
格子定数 [Å]	114.060, 145.130, 39.990
格子定数 [度]	90.00, 90.00, 90.00

精密化法

残基	44.536 - 2.600
R因子	0.2256
Rwork	0.224
R-free	0.25430
Structure solution method	SAD
結合長の平均二乗偏差(RMSD) [Å]	0.003
結合角の平均二乗偏差(RMSD) [度]	0.640
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXCD
Refinement software	PHENIX ((1.13rc1_2954: ???))

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	44.536	2.670
分解能 [Å] (高)	2.600	2.600
Rmeas	0.380	2.000
独立反射数	19671	1467
<I/σ(I)>	8.95	1.96
完全性 [%]	99.0	99
冗長性	20.7	15.7

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	LIPIDIC CUBIC PHASE		293	40 % PEG-400, 0.3-0.5 M ammonium citrate dibasic and 0.1 M sodium citrate pH 5.0