3R5Z

Structure of a Deazaflavin-dependent reductase from Nocardia farcinica, with co-factor F420

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2009-10-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.976
Spacegroup name	P 1 21 1
Unit cell lengths	39.704, 56.939, 66.003
Unit cell angles	90.00, 105.52, 90.00

Refinement procedure

Resolution	37.515 - 1.503
R-factor	0.1675
Rwork	0.166
R-free	0.19200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3r5y
RMSD bond length	0.013
RMSD bond angle	1.490
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.1.4)
Refinement software	PHENIX (1.5_2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.550
High resolution limit [Å]	1.500	3.230	1.500
Rmerge	0.080	0.036	0.473
Number of reflections	42118
<I/σ(I)>	18	37.803	1.559
Completeness [%]	93.5	92.6	82.1
Redundancy	2.3	2.3	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	277	30% PEG 2000, 0.1M acetate, 0.2M (NH4)2SO4 with equimolar protein and co-factor, pH 4.6, vapor diffusion, sitting drop, temperature 277K