5XKI

Crystal structure of baculoviral sulfhydryl oxidase AcP33 (wide type)

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	2014-03-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	C 1 2 1
Unit cell lengths	145.742, 70.971, 73.396
Unit cell angles	90.00, 108.82, 90.00

Refinement procedure

Resolution	38.592 - 2.460
R-factor	0.2115
Rwork	0.209
R-free	0.26430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qzy
RMSD bond length	0.008
RMSD bond angle	1.012
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]	38.590	38.590	2.550
High resolution limit [Å]	2.460	5.300	2.460
Rmerge	0.075	0.041	0.494
Rmeas	0.087	0.048	0.576
Total number of observations	95874	9372	9636
Number of reflections	25814		2570
<I/σ(I)>	8.2	21.3	1.9
Completeness [%]	99.6	98	99.7
Redundancy	3.69	3.54	3.74

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	289	glycerol ethoxylate