5UH0

1.95 Angstrom Resolution Crystal Structure of Fragment (35-274) of Membrane-bound Lytic Murein Transglycosylase F from Yersinia pestis.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2016-04-25
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	64.086, 66.507, 96.427
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.520 - 1.950
R-factor	0.216
Rwork	0.213
R-free	0.26735
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4owd
RMSD bond length	0.012
RMSD bond angle	1.504
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.980
High resolution limit [Å]	1.950	1.950
Rmerge	0.110	0.700
Rpim	0.045	0.277
Number of reflections	30781	1503
<I/σ(I)>	29.5	3.2
Completeness [%]	100.0	100
Redundancy	7.2	7.3
CC(1/2)		0.895

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	295	Protein: 17.3 mg/ml, 0.01M Tris HCl (pH 8.3); Screen: JCSG+ (H8), 0.2M Sodium chloride, 0.1 Bis-Tris (pH 5.5), 25% (w/v) PEG 3350