4OHB

Crystal structure of MilB E103A in complex with 5-hydroxymethylcytidine 5'-monophosphate (hmCMP) from Streptomyces rimofaciens

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Wavelength(s)	1.00
Spacegroup name	C 2 2 21
Unit cell lengths	45.426, 101.808, 81.744
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.250 - 2.400
R-factor	0.1954
Rwork	0.192
R-free	0.25700
Structure solution method	SAD
RMSD bond length	0.015
RMSD bond angle	1.761
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.490
High resolution limit [Å]	2.400	5.170	2.400
Rmerge	0.125	0.069	0.460
Number of reflections	7108
<I/σ(I)>	9.1
Completeness [%]	92.1	94.4	98.7
Redundancy	4.4	4.4	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	16% PEG 4000, 0.08M Magnesium chloride hexahydrate, 0.1M Tris hydrochloride, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K