7VGM

Crystal structure of Phenylalanine hydroxylase from Bacillus cereus ATCC 14579

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2020-10-17
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	P 21 21 21
Unit cell lengths	77.273, 93.698, 95.676
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.490 - 2.270
R-factor	0.1764
Rwork	0.173
R-free	0.24090
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.458
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AutoSol
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.320
High resolution limit [Å]	2.270	6.190	2.280
Rmerge	0.104	0.073	0.358
Rmeas	0.122	0.087	0.427
Rpim	0.062	0.046	0.228
Number of reflections	32319	1713	1542
<I/σ(I)>	9.4
Completeness [%]	99.2	95.5	97.8
Redundancy	3.6	3.3	3
CC(1/2)		0.988	0.877

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	Polyethylene glycol 3,350, Sodium acetate trihydrate