4KEP

Crystal structure of 4-pyridoxolactonase, wild-type

Replaces:  3AJ0

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-11-23
Detector	ADSC QUANTUM 315
Wavelength(s)	1.000
Spacegroup name	C 1 2 1
Unit cell lengths	84.751, 39.198, 84.200
Unit cell angles	90.00, 117.68, 90.00

Refinement procedure

Resolution	36.144 - 1.830
R-factor	0.1763
Rwork	0.174
R-free	0.20880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3aj3
RMSD bond length	0.007
RMSD bond angle	1.122
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.860
High resolution limit [Å]	1.830	1.830
Rmerge	0.053	0.405
Number of reflections	21861
<I/σ(I)>	19.7	5.65
Completeness [%]	99.8	99.7
Redundancy	6.1	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	30% PEG4000, 0.2M ammonium acetate, 0.1M sodium acetate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K