6A1W

Mandelate oxidase with the enoyl FMN epoxide adduct

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-08-07
Detector	RAYONIX MX300HE
Wavelength(s)	1
Spacegroup name	I 4 2 2
Unit cell lengths	137.541, 137.541, 112.180
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.990 - 1.700
R-factor	0.1659
Rwork	0.165
R-free	0.18730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3sgz
RMSD bond length	0.018
RMSD bond angle	2.110
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX ((1.11.1_2575))
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.037	0.650
Rpim	0.018	0.250
Number of reflections	58282	5775
<I/σ(I)>	34.4	2.4
Completeness [%]	99.0	99.9
Redundancy	9.8	9.7
CC(1/2)		0.803

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	35% Tascimate, 0.1M Bis-Tris propane pH 7.0