7JT8

Apo structure of a pseudomurein peptide ligase type E from Methanothermus fervidus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-11-18
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9537
Spacegroup name	P 61
Unit cell lengths	119.783, 119.783, 70.746
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.580 - 1.840
R-factor	0.1771
Rwork	0.175
R-free	0.21110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4qdi
RMSD bond length	0.007
RMSD bond angle	0.858
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MrBUMP
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.580	1.870
High resolution limit [Å]	1.840	1.840
Rmerge	0.091	0.878
Number of reflections	50277	3066
<I/σ(I)>	29.3	4.4
Completeness [%]	99.8	97.9
Redundancy	22.4
CC(1/2)	1.000	0.910

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.4	293	0.2 M ammonium sulfate, 30% w/v PEG4000, pH 5.4