4YR9

mouse TDH with NAD+ bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2012-07-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97915
Spacegroup name	P 2 21 21
Unit cell lengths	74.150, 160.130, 194.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.420 - 2.800
R-factor	0.218
Rwork	0.216
R-free	0.26440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yy7
RMSD bond length	0.005
RMSD bond angle	0.971
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	123.572	38.860	2.950
High resolution limit [Å]	2.800	8.850	2.800
Rmerge		0.045	0.587
Rmeas	0.115
Rpim	0.052	0.019	0.306
Total number of observations	226819	12701	29248
Number of reflections	53532
<I/σ(I)>	11	33	2.2
Completeness [%]	92.7	98.5	88.1
Redundancy	4.2	6.4	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	283	0.2 M Sodium chloride, 0.1 M HEPES, 25% w/v Polyethylene glycol 3350