7UFP

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 MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.954
Spacegroup name	C 1 2 1
Unit cell lengths	126.763, 44.975, 98.046
Unit cell angles	90.00, 98.19, 90.00

Refinement procedure

Resolution	41.340 - 2.000
R-factor	0.1824
Rwork	0.180
R-free	0.22860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7jt8
RMSD bond length	0.007
RMSD bond angle	0.785
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20rc4_4425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.520	2.060
High resolution limit [Å]	2.000	2.000
Number of reflections	37078	2629
<I/σ(I)>	14
Completeness [%]	99.7	96.1
Redundancy	6.7
CC(1/2)	0.991	0.889

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