1TG2

Crystal structure of phenylalanine hydroxylase A313T mutant with 7,8-dihydrobiopterin bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-D
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2003-03-13
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	66.534, 107.755, 124.282
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.910 - 2.200
R-factor	0.213
Rwork	0.213
R-free	0.25400
Structure solution method	Difference fourier
Starting model (for MR)	1lrm
RMSD bond length	0.012
RMSD bond angle	1.500
Data reduction software	d*TREK
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.280
High resolution limit [Å]	2.200	2.200
Number of reflections	22757
<I/σ(I)>	20	20
Completeness [%]	99.0	99.9
Redundancy	7.5	7.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	277	5-10% Ethylene Glycol, 20-40 mM Pipes, pH 6.8, 8-15% PEG 2000, VAPOR DIFFUSION, HANGING DROP, temperature 277K