4YRA

mouse TDH in the apo form

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	2014-09-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	94.445, 157.310, 162.336
Unit cell angles	90.00, 97.00, 90.00

Refinement procedure

Resolution	44.350 - 2.650
R-factor	0.2196
Rwork	0.217
R-free	0.27120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4yr9
RMSD bond length	0.005
RMSD bond angle	0.951
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.740
High resolution limit [Å]	2.650	5.710	2.650
Rmerge	0.062	0.027	0.387
Rmeas	0.081	0.035	0.508
Rpim	0.051	0.021	0.325
Total number of observations	266100
Number of reflections	127736
<I/σ(I)>	10.3
Completeness [%]	93.9	93.1	94.6
Redundancy	2.1	2.1	2
CC(1/2)		0.998	0.845

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	283	0.1 M Sodium HEPES, 10%(w/v) PEG 4000, 10%(v/v) 2-Propanol