6PMH

Structure of Epimerase Mth375 from the thermophilic pseudomurein-containing methanogen Methanothermobacter thermautotrophicus

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	2013-06-27
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.911700
Spacegroup name	H 3 2
Unit cell lengths	113.815, 113.815, 239.873
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.270 - 2.300
R-factor	0.1487
Rwork	0.147
R-free	0.17760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pzj
RMSD bond length	0.012
RMSD bond angle	1.607
Data reduction software	XDS
Data scaling software	Aimless (0.5.27)
Phasing software	PHASER (2.6.1)
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.270	48.270	2.380
High resolution limit [Å]	2.300	8.910	2.300
Rmerge	0.176	0.041	0.763
Total number of observations		4916	29548
Number of reflections	26918	521	2607
<I/σ(I)>	15.1	46.4	3.7
Completeness [%]	100.0	99.4	100
Redundancy	11.1	9.4	11.3
CC(1/2)	0.996	0.999	0.905

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	294	1.0 M ammonium dihydrogen phosphate, 0.1 M tri-sodium citrate, Silver Bullets Bio condition H9