3PFT

Crystal Structure of Untagged C54A Mutant Flavin Reductase (DszD) in Complex with FMN From Mycobacterium goodii

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2009-10-24
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1
Spacegroup name	I 2 3
格子定数 [Å]	131.174, 131.174, 131.174
格子定数 [度]	90.00, 90.00, 90.00

精密化法

残基	35.058 - 1.601
R因子	0.1743
Rwork	0.173
R-free	0.19600
Structure solution method	MOLECULAR REPLACEMENT
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]	1.194
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	PHENIX

Quality characteristics

	Overall	Inner shell	Outer shell
分解能 [Å] (低)	50.000	50.000	1.650
分解能 [Å] (高)	1.600	3.560	1.600
Rmerge_l_obs	0.059	0.028	0.593
独立反射数	49333
<I/σ(I)>	10.7
完全性 [%]	99.9	99.4	100
冗長性	15.2	15.2	14.1

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1M Bis-Tris, 34% PEG 3350, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K