4BNB

Nitroreductase CinD from Lactococcus lactis in complex with 4- nitroquinoline 1-oxide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	PIXEL
Detector	DECTRIS PILATUS
Spacegroup name	C 2 2 21
Unit cell lengths	54.052, 120.518, 68.444
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.013 - 1.478
R-factor	0.1366
Rwork	0.135
R-free	0.16470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2wqf
RMSD bond length	0.003
RMSD bond angle	0.780
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.570
High resolution limit [Å]	1.480	1.480
Rmerge	0.050	0.550
Number of reflections	37568
<I/σ(I)>	19	2.9
Completeness [%]	99.2	99.3
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1