7CBF

Crystal structure of benzophenone synthase from Garcinia mangostana L. pericarps reveals basis for substrate specificity and catalysis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13C1
Synchrotron site	NSRRC
Beamline	BL13C1
Temperature [K]	110
Detector technology	CCD
Collection date	2015-10-06
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.975
Spacegroup name	P 21 21 21
Unit cell lengths	70.810, 98.330, 112.024
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.347 - 2.301
Rwork	0.170
R-free	0.21520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cgk
RMSD bond length	0.007
RMSD bond angle	1.418
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.159	0.490
Number of reflections	35272	6660
<I/σ(I)>	9.67	3.14
Completeness [%]	99.5	99.7
Redundancy	2.4	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	6.2	291	20% (w/v) PEG 3,350, 0.2 M ammonium iodide, pH 6.2