7W1G

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

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	2021-11-08
Detector	RAYONIX MX300HE
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	70.556, 99.236, 136.933
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.450 - 1.860
R-factor	0.2175
Rwork	0.215
R-free	0.26610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7f3v
RMSD bond length	0.008
RMSD bond angle	1.562
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.940
High resolution limit [Å]	1.860	4.030	1.870
Rmerge	0.115	0.054	0.685
Rmeas	0.130	0.063	0.755
Rpim	0.059	0.032	0.311
Number of reflections	75568	6803	7199
<I/σ(I)>	6.3
Completeness [%]	92.7	79.6	89.3
Redundancy	5.1	3.8	5.6
CC(1/2)		0.993	0.852

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	2.0 M ammonium sulfate and 100 mM sodium acetate at pH 5.4