5GYN

Crystal structure of human pyridoxal 5'-phosphate phosphatase (Chronophin) mutant - C221S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2016-03-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97950
Spacegroup name	P 43 21 2
Unit cell lengths	54.578, 54.578, 214.697
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.984 - 1.995
R-factor	0.1993
Rwork	0.196
R-free	0.23390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cfs
RMSD bond length	0.004
RMSD bond angle	0.815
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1690)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.995
Number of reflections	23096
<I/σ(I)>	26.1
Completeness [%]	99.2
Redundancy	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	294	16% PEG 4000, 20 mM magnesium chloride, 100 mM HEPES pH7.0