4QQ6

Crystal Structure of tudor domain of SMN1 in complex with a small organic molecule

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E
Temperature [K]	100
Detector technology	CCD
Collection date	2014-04-15
Detector	RIGAKU SATURN A200
Wavelength(s)	1.5418
Spacegroup name	P 65
Unit cell lengths	27.789, 27.789, 112.817
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.070 - 1.750
R-factor	0.1727
Rwork	0.165
R-free	0.24170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mhn
RMSD bond length	0.017
RMSD bond angle	1.653
Data reduction software	XDS
Data scaling software	Aimless (0.3.3)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.610	37.610	1.790
High resolution limit [Å]	1.750	8.750	1.750
Rmerge	0.078	0.032	0.806
Total number of observations		424	2917
Number of reflections	5006
<I/σ(I)>	19.8	53.9	2.9
Completeness [%]	100.0	99.1	100
Redundancy	10.5	9.2	10.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293	2M ammonium sulfate, 0.2M potassium/sodium tartrate, 0.1M sodium citrate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K