2YZR

Crystal structure of pyridoxine biosynthesis protein from Methanocaldococcus jannaschii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2007-01-31
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9790
Spacegroup name	I 2 2 2
Unit cell lengths	106.054, 170.797, 173.334
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.300 - 2.300
R-factor	0.197
Rwork	0.197
R-free	0.22500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1znn
RMSD bond length	0.005
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.081	0.235
Number of reflections	68092
<I/σ(I)>	29.04	8.7
Completeness [%]	98.1	99.7
Redundancy	11.2	11.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	0.1M Sodium acetate pH 4.6, 3.5M Ammonium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 293K