4JPX

Crystal structure of phenylalanine hydroxylase S203P mutant from Chromobacterium violaceum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2011-02-23
Detector	MAR scanner 300 mm plate
Wavelength(s)	1.033
Spacegroup name	P 1
Unit cell lengths	36.989, 38.569, 47.871
Unit cell angles	76.66, 73.21, 85.53

Refinement procedure

Resolution	22.740 - 1.550
R-factor	0.15174
Rwork	0.149
R-free	0.20167
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ltu
RMSD bond length	0.006
RMSD bond angle	1.245
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.580
High resolution limit [Å]	1.550	1.550
Rmerge	0.040
Number of reflections	31409
<I/σ(I)>	15.5
Completeness [%]	92.7	81.1
Redundancy	1.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.1 M Na-HEPES, 0.001 M Magnesium chloride hexahydrate, 0.005 M Nickel (II) chloride hexahydrate, 15% w/v PEG 3,350, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K