5YZX

Crystal structure of E.coli LysU T146D mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97852
Spacegroup name	C 2 2 21
Unit cell lengths	144.544, 249.855, 179.652
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.147 - 3.200
R-factor	0.2376
Rwork	0.236
R-free	0.26850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1e22
RMSD bond length	0.003
RMSD bond angle	0.626
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	3.310
High resolution limit [Å]	3.200	6.880	3.200
Rmerge	0.220	0.094	0.586
Rmeas	0.246	0.103	0.676
Rpim	0.108	0.043	0.330
Total number of observations	278081
Number of reflections	56309	5875	5540
<I/σ(I)>	5.4
Completeness [%]	99.5	99.5	98.9
Redundancy	4.9	5.7	3.9
CC(1/2)		0.994	0.711

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	0.1M NH4SO4, 0.3M Na Formate, 0.1 M Na Cacodylate pH 6.5, 3% PGA, and 30% PEG400,