1YXO

Crystal Structure of pyridoxal phosphate biosynthetic protein PdxA PA0593

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-D
Synchrotron site	APS
Beamline	14-BM-D
Temperature [K]	100
Detector technology	CCD
Collection date	2004-06-25
Detector	ADSC QUANTUM 4
Wavelength(s)	0.98046
Spacegroup name	P 21 21 21
Unit cell lengths	54.259, 59.307, 199.111
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.680 - 2.010
R-factor	0.198
Rwork	0.198
R-free	0.24300
Structure solution method	MAD
Starting model (for MR)	none
RMSD bond length	0.005
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.000	2.080
High resolution limit [Å]	2.010	2.010
Rmerge	0.071	0.201
Number of reflections	42938
<I/σ(I)>	8.5	6.05
Completeness [%]	98.1	97.8
Redundancy	6.6	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	PEG3350, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	PEG3350, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	PEG3350, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K