4N2Q

Crystal structure of THA8 in complex with Zm4 RNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2013-03-08
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	.97856
Spacegroup name	P 41 21 2
Unit cell lengths	90.341, 90.341, 81.733
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.210 - 2.800
R-factor	0.207
Rwork	0.205
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Apo THA8 structure
RMSD bond length	0.009
RMSD bond angle	1.144
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.950
High resolution limit [Å]	2.800	2.800
Rmerge	0.050	0.944
Number of reflections	8811
<I/σ(I)>	34.4	3.3
Completeness [%]	100.0	100
Redundancy	14.1	14.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	295	14% PEG 4000 and 0.1 M MES, pH6.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K