3NUQ

Structure of a putative nucleotide phosphatase from Saccharomyces cerevisiae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E DW
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-02-15
Detector	RIGAKU RAXIS HTC
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	58.474, 64.664, 67.708
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.380 - 1.700
R-factor	0.19722
Rwork	0.194
R-free	0.22611
Structure solution method	SAD
Starting model (for MR)	Cr dataset at wavelength of 2.27 A with a Rigaku MicroMax-007 HF generator and a Cr Raxis4++ detector. This was subsequently refined using a Cu-wavelength dataset deposited here.
RMSD bond length	0.012
RMSD bond angle	1.405
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXCD
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.380	1.660
High resolution limit [Å]	1.600	1.600
Rmerge	0.077	0.347
<I/σ(I)>	14.95	2.7
Completeness [%]	95.5	97.4
Redundancy	5.7	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	294	0.1M Bis-Tris pH6.5, 25 PEG 2K MME (monomethyl ether) cryoprotected with 25% ethylene glycol , VAPOR DIFFUSION, HANGING DROP, temperature 294K