4P2L

Quiescin Sulfhydryl Oxidase from Rattus norvegicus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-06-21
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.8726
Spacegroup name	P 21 21 2
Unit cell lengths	96.495, 169.583, 68.369
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.780 - 2.900
R-factor	0.182
Rwork	0.178
R-free	0.24300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3t58
RMSD bond length	0.003
RMSD bond angle	0.686
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.780	2.960
High resolution limit [Å]	2.900	2.900
Rmerge		0.357
Number of reflections	25595
<I/σ(I)>	10.6	2.7
Completeness [%]	99.9	99.9
Redundancy	4.6	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	0.1 M sodium citrate buffer, pH 6.0, 0.25 M NaCl, 27% w/v polyethylene glycol 3350