6J4D

Crystal structure of MarH, an epimerase for biosynthesis of Maremycins in Streptomyces, under pH 4.7, without Zn

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL19U1
Synchrotron site	NFPSS
Beamline	BL19U1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-03-29
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97891
Spacegroup name	P 32 2 1
Unit cell lengths	43.425, 43.425, 98.383
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.610 - 1.400
R-factor	0.1465
Rwork	0.145
R-free	0.16700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.025
RMSD bond angle	2.326
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.420
High resolution limit [Å]	1.400	1.400
Number of reflections	18801
<I/σ(I)>	54.3
Completeness [%]	98.5
Redundancy	14

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.7	293	100mM sodium citrate, pH4.7, 20% PEG3350, 0.2M NaCl