4IJ3

Oxidoreductase Fragment of Human QSOX1 in Complex with a FAB Fragment from an Anti- Human QSOX1 Antibody

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-02-27
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 61
Unit cell lengths	209.311, 209.311, 55.265
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.700
Rwork	0.202
R-free	0.23700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3q6o 3okd
RMSD bond length	0.006
RMSD bond angle	1.440
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.750
High resolution limit [Å]	2.700	2.700
Rmerge	0.092	0.363
Number of reflections	37560
<I/σ(I)>	14.35	1.96
Completeness [%]	97.3
Redundancy	5.1	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	19% w/v PEG 4000, 0.4 M ammonium phosphate dibasic, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 293K