7YVV

AcmP1, R-4-hydroxymandelate synthase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	77.15
Detector technology	PIXEL
Collection date	2017-12-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97853
Spacegroup name	P 31
Unit cell lengths	71.130, 71.130, 56.281
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	61.600 - 2.100
R-factor	0.1566
Rwork	0.148
R-free	0.19730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2r5v
Data reduction software	iMOSFLM
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	61.600	61.600	2.160
High resolution limit [Å]	2.100	8.910	2.100
Rmerge	0.171	0.065	0.938
Rmeas	0.192	0.073	1.055
Rpim	0.087	0.032	0.477
Total number of observations	85544	1079	7260
Number of reflections	18285	239	1542
<I/σ(I)>	6.9	16.5	1.8
Completeness [%]	98.3	97.4	97.8
Redundancy	4.7	4.5	4.7
CC(1/2)	0.985	0.981	0.392

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295.15	0.1 M HEPES sodium pH 7.5, 10% v/v 2-Propanol, 20% w/v Polyethylene glycol 4,000