2VUT

Crystal structure of NAD-bound NmrA-AreA zinc finger complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	H 3
Unit cell lengths	227.520, 227.520, 222.570
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.860 - 2.300
R-factor	0.215
Rwork	0.215
R-free	0.27400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ENTRIES 1K6J AND 4GAT
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.080	0.440
Number of reflections	180785
<I/σ(I)>	12.7	1.6
Completeness [%]	94.8	71.3
Redundancy	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.4		0.2M LI2SO4, 0.1M BIS-TRIS PH 6.4, 15% - 17% PEG3350