2OC2

Structure of testis ACE with RXPA380

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	77
Detector technology	CCD
Collection date	2006-05-15
Detector	MAR CCD 165 mm
Wavelength(s)	0.8073
Spacegroup name	P 21 21 21
Unit cell lengths	56.514, 84.763, 133.483
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	17.120 - 2.250
R-factor	0.217
Rwork	0.215
R-free	0.26200
Structure solution method	phases known
Starting model (for MR)	testis ACE
RMSD bond length	0.008
RMSD bond angle	1.207
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.330
High resolution limit [Å]	2.250	2.250
Number of reflections	22494
<I/σ(I)>	7.1	1.53
Completeness [%]	72.2	59.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.7	289	13.5% PEG 4000, 0.12M Na Malonate, 90mM Na Acetate pH 4.7, 9uM Zn Acetate , VAPOR DIFFUSION, HANGING DROP, temperature 289K