2XRE

Detection of cobalt in previously unassigned human SENP1 structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 31 2 1
Unit cell lengths	71.981, 71.981, 200.640
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.600 - 2.450
R-factor	0.241
Rwork	0.237
R-free	0.31700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2iyc
RMSD bond length	0.014
RMSD bond angle	1.525
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.600	2.510
High resolution limit [Å]	2.450	2.450
Rmerge	0.100	0.430
Number of reflections	21832
<I/σ(I)>	19	3
Completeness [%]	100.0	100
Redundancy	8.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP			CRYSTALLIZATION WAS PERFORMED USING A SITTING-DROP VAPOUR-DIFFUSION METHOD. CRYSTALS APPEARED FROM EQUAL VOLUMES OF PROTEIN SOLUTION (20 MG/ML IN 20 MM TRIS/HCL, PH 8.0, AND 50 MM NACL) AND RESERVOIR SOLUTION CONTAINING 100 MM COCL2, 0.1M MES, PH 6.5, AND 1.8 M (NH4)2SO4.