1VK6

Crystal structure of NADH pyrophosphatase (1790429) from Escherichia coli k12 at 2.20 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2003-10-21
Detector	ADSC
Spacegroup name	P 65 2 2
Unit cell lengths	127.319, 127.319, 108.405
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	63.660 - 2.200
R-factor	0.18831
Rwork	0.187
R-free	0.21955
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.017
RMSD bond angle	1.509
Data reduction software	MOSFLM
Data scaling software	SCALA (4.2))
Phasing software	CNS
Refinement software	REFMAC (5.2.0001)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.660	2.320
High resolution limit [Å]	2.200	2.200
Number of reflections	26842
<I/σ(I)>	13.9	2.3
Completeness [%]	100.0	100
Redundancy	7.4	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION,SITTING DROP,NANODROP		277	12% MPD, 0.08M HEPES, 0.02M HEPES_Na , VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K