5XTR

Crystal structure of baculoviral sulfhydryl oxidase P33 (R127A, E183A mutant)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-18
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9789
Spacegroup name	P 1
Unit cell lengths	59.136, 76.204, 80.231
Unit cell angles	84.32, 70.83, 69.27

Refinement procedure

Resolution	37.883 - 2.250
R-factor	0.2454
Rwork	0.243
R-free	0.28680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qzy
RMSD bond length	0.008
RMSD bond angle	0.996
Data reduction software	d*TREK (9.9.9.4D)
Data scaling software	d*TREK (9.9.9.4D)
Phasing software	PHENIX (1.11.1_2575)
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.910	37.910	2.330
High resolution limit [Å]	2.250	4.840	2.250
Rmerge	0.057	0.040	0.244
Rmeas	0.081	0.056	0.344
Number of reflections	53132		5482
<I/σ(I)>	7.4	16.9	2.2
Completeness [%]	90.5	88.6	92.9
Redundancy	1.83	1.83	1.84

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.3	293	PEG3350