2VRB

Crystal structure of the Citrobacter sp. triphenylmethane reductase complexed with NADP(H)

Experimental procedure

実験手法	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 4A
Synchrotron site	PAL/PLS
Beamline	4A
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	C 2 2 21
格子定数 [Å]	58.800, 141.645, 75.811
格子定数 [度]	90.00, 90.00, 90.00

精密化法

残基	30.000 - 2.000
R因子	0.202
Rwork	0.200
R-free	0.24200
Structure solution method	MOLECULAR REPLACEMENT
結合長の平均二乗偏差(RMSD) [Å]	0.016
結合角の平均二乗偏差(RMSD) [度]	1.603
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Quality characteristics

	Overall	Outer shell
分解能 [Å] (低)	30.000	2.070
分解能 [Å] (高)	2.000	2.000
Rmerge_l_obs	0.060	0.330
独立反射数	21741
<I/σ(I)>	6.3	4
完全性 [%]	99.7	99.5
冗長性	5.6	5.4

結晶化条件

結晶ID	方法	pH	温度	溶液条件
1				0.05M KH2PO4,18% PEG8000