8V8W

Crystal Structure of Apo UDP-N-acetylmuramoylalanine--D-glutamate ligase (MurD) from E. coli (Tetragonal P form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 19-ID
Synchrotron site	NSLS-II
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-08
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9795
Spacegroup name	P 43 21 2
Unit cell lengths	67.801, 67.801, 200.023
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.540 - 1.650
R-factor	0.1796
Rwork	0.179
R-free	0.19800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.978
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21rc1_5162: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.940	1.680
High resolution limit [Å]	1.650	1.650
Rmerge	0.088	1.582
Rmeas	0.092	1.644
Rpim	0.026	0.444
Total number of observations	740487	37493
Number of reflections	57294	2762
<I/σ(I)>	13.8	1.7
Completeness [%]	100.0
Redundancy	12.9	13.6
CC(1/2)	0.999	0.808

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	Morpheus G4: 12.5%(v/v) MPD, 12.5%(v/v) PEG 1000, 12.5%(w/v) PEG 3350, 100 mM Imidazole/MES, pH 6.5, 20 mM Sodium formate, 20 mM Ammonium acetate, 20 mM Sodium citrate tribasic, 20 mM Potassium sodium tartrate and 20 mM Sodium oxamate. EscoA.17938.a.AE1.PW39153 at 17.4 mg/mL. Inhibitor added but not bound. plate 13512 well G4 drop 1. Puck: PSL-1712, Cryo: direct