9KP8

Crystal structure of FAD-dependent oxidase CpaO

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	80
Detector technology	PIXEL
Collection date	2022-03-14
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1
Spacegroup name	P 65
Unit cell lengths	118.245, 118.245, 68.891
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.246 - 1.179
Rwork	0.164
R-free	0.17360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	1.017
Data reduction software	HKL-2000
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0411)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.220
High resolution limit [Å]	1.179	1.179
Rmeas	0.038	0.431
Rpim		0.148
Number of reflections	178136	169210
<I/σ(I)>	58.19	5.33
Completeness [%]	99.0
Redundancy	9
CC(1/2)		0.941

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M Potassium sodium tartrate tetrahydrate, 0.1 M Sodium citrate tribasic dihydrate pH 5.6, 2.0 M Ammonium sulfate