7F3V

Crystal structure of YfiH with C107A mutation in complex with endogenous UDP-MurNAc

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	2020-11-03
Detector	RAYONIX MX300HE
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	69.949, 98.831, 136.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.080 - 1.470
R-factor	0.1866
Rwork	0.185
R-free	0.21360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1z9t
RMSD bond length	0.013
RMSD bond angle	1.857
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.520
High resolution limit [Å]	1.470	1.470
Rmerge	0.033	0.529
Rpim	0.017	0.270
Number of reflections	149115	10787
<I/σ(I)>	40.08	2.4
Completeness [%]	97.3	94
Redundancy	6.9	6.7
CC(1/2)	0.965	0.854

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	2M ammonium sulfate, 100 mM sodium phosphate at pH 5.4