1TFF

Structure of Otubain-2

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	105
Detector technology	CCD
Detector	MARRESEARCH
Wavelength(s)	0.97630, 0.97990, 0.98010
Spacegroup name	P 21 21 21
Unit cell lengths	46.433, 65.401, 76.259
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.390 - 2.100
R-factor	0.19125
Rwork	0.188
R-free	0.25689
Structure solution method	MAD
RMSD bond length	0.028
RMSD bond angle	2.382
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.085
Number of reflections	14128
<I/σ(I)>	18.11	5.3
Completeness [%]	99.7	100
Redundancy	27

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	288.15	14% PEG 4000, 0.1 M HEPES, pH 7.0, 12 % isopropanol and 5 mM DTT., VAPOR DIFFUSION, HANGING DROP, temperature 288.15K
1	VAPOR DIFFUSION, HANGING DROP	7	288.15	14% PEG 4000, 0.1 M HEPES, pH 7.0, 12 % isopropanol and 5 mM DTT., VAPOR DIFFUSION, HANGING DROP, temperature 288.15K