3MXT

Crystal Structure of Pantoate-Beta-alanine Ligase from Campylobacter jejuni

Experimental procedure

Experimental method	SAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2009-12-09
Detector	ADSC QUANTUM 210r
Spacegroup name	P 61 2 2
Unit cell lengths	83.314, 83.314, 148.680
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.490 - 1.850
R-factor	0.161
Rwork	0.159
R-free	0.19800
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.264
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	PHENIX ((phenix.refine: 1.6_289))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.880
High resolution limit [Å]	1.850	1.850
Number of reflections	26799
<I/σ(I)>	21.6	3.91
Completeness [%]	99.8	100
Redundancy	15.2	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.5	289	0.2 M magnesium chloride, 0.1 Tris pH 8.5, 20 % w/v PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 289K