1OTJ

Crystal structure of APO (iron-free) TauD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	93
Detector technology	IMAGE PLATE
Collection date	2002-09-21
Detector	RIGAKU RAXIS IIC
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	95.848, 117.845, 118.262
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.900
R-factor	0.221
Rwork	0.212
R-free	0.25400 *
Structure solution method	Direct methods and MAD
RMSD bond length	0.005 *
RMSD bond angle	1.340 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.049 *	0.334 *
Number of reflections	99459
<I/σ(I)>	15.4	3.1
Completeness [%]	96.9 *	78.9 *
Redundancy	5.5	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	8	22 *	PEG 4000, Isopropanol, Sodium citrate, pH 8.0, Batch, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	Tris	10 (mM)	pH8.0
2	1	1	EDTA	100 (mM)	pH8.0
3	1	1	nitrogen	95 (%)
4	1	1	hydrogen gas	5 (%)