2VRC

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 6C1
Synchrotron site	PAL/PLS
Beamline	6C1
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 21 21 21
Unit cell lengths	75.957, 76.954, 272.826
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.360 - 2.500
R-factor	0.192
Rwork	0.190
R-free	0.23900
Structure solution method	SAD
Starting model (for MR)	NONE
RMSD bond length	0.013
RMSD bond angle	1.391
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.050	0.180
Number of reflections	56316
<I/σ(I)>	42.2	8.45
Completeness [%]	100.0	99.9
Redundancy	6.2	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8		0.3M NAH2PO4,1.2M KH2PO4,0.2M NACL, 0.1M IMIDAZOLE(PH 8.0)