3C37

X-ray structure of the putative Zn-dependent peptidase Q74D82 at the resolution 1.7 A. Northeast Structural Genomics Consortium target GsR143A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4C
Synchrotron site	NSLS
Beamline	X4C
Temperature [K]	100
Detector technology	CCD
Collection date	2007-11-11
Detector	MAR CCD 165 mm
Wavelength(s)	0.97900
Spacegroup name	P 1
Unit cell lengths	36.840, 44.613, 71.772
Unit cell angles	88.07, 75.18, 65.64

Refinement procedure

Resolution	27.430 - 1.700
R-factor	0.22106
Rwork	0.219
R-free	0.25386
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.238
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SnB
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.760
High resolution limit [Å]	1.700	1.700
Number of reflections	84304
<I/σ(I)>	30.2	3.9
Completeness [%]	94.7	86.3
Redundancy	1.92	1.93

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M Ammonium thiocyanate, 0.1M Sodium citrate, 40% PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M Ammonium thiocyanate, 0.1M Sodium citrate, 40% PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M Ammonium thiocyanate, 0.1M Sodium citrate, 40% PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 293K