4YQZ

Crystal Structure of a putative oxidoreductase from Thermus Thermophilus HB27 (TT_P0034, TARGET EFI-513932) in its APO form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-02-24
Detector	RAYONIX MX225HE
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	76.436, 65.752, 85.759
Unit cell angles	90.00, 95.43, 90.00

Refinement procedure

Resolution	25.091 - 1.807
R-factor	0.1666
Rwork	0.164
R-free	0.20950
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.078
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	1.830
High resolution limit [Å]	1.800	4.890	1.800
Rmerge	0.066	0.037	0.935
Rmeas	0.069	0.040
Rpim	0.026	0.015	0.370
Total number of observations	573677
Number of reflections	76823
<I/σ(I)>	9.8
Completeness [%]	99.2	95.3	98.8
Redundancy	7.5	7.4	7.2
CC(1/2)		0.996	0.802

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	Protein, 10mM NAD; Reservoir (0.2 M Calcium chloride, 0.1M Tris: HCl, pH 8.50, 25%(w/v) PEG 4000); Cryoprotection (20% Diethylene glycol, 80% Reservoir)