5IW4

Crystal structure of E. coli NudC in complex with NAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.075
Spacegroup name	P 21 21 21
Unit cell lengths	51.932, 99.369, 113.655
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.530 - 2.600
R-factor	0.202
Rwork	0.200
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vk6
RMSD bond length	0.011
RMSD bond angle	1.061
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.111	0.529
Number of reflections	18712
<I/σ(I)>	23.5	3.5
Completeness [%]	99.9	99.9
Redundancy	7	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	0.2 M sodium nitrate, 20% PEG3350