8H2C

Crystal structure of the pseudaminic acid synthase PseI from Campylobacter jejuni

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2015-03-02
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0000
Spacegroup name	P 4 21 2
Unit cell lengths	176.805, 176.805, 99.824
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.900
R-factor	0.2472
Rwork	0.245
R-free	0.29510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Alpha fold2 model
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.950
High resolution limit [Å]	2.900	2.900
Number of reflections	35895	1787
<I/σ(I)>	11	1.2
Completeness [%]	97.9	99.9
Redundancy	8.3	8
CC(1/2)	0.981	0.390

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	PEG 4000, lithium sulfate, Tris, pH 8.0