5BUS

O-succinylbenzoate Coenzyme A Synthetase (MenE) from Bacillus Subtilis, in complex with AMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2014-12-08
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.973
Spacegroup name	P 43
Unit cell lengths	121.811, 121.811, 98.013
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.520 - 2.603
R-factor	0.1924
Rwork	0.190
R-free	0.23350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5buq
RMSD bond length	0.008
RMSD bond angle	1.168
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.520	2.696
High resolution limit [Å]	2.603	2.603
Rmerge	0.136	0.864
Number of reflections	43794
<I/σ(I)>	6.6	4.93
Completeness [%]	99.5	99.34
Redundancy	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	289	0.1M HEPES pH7.5, 10% (w/v) PEG6000, 5% (v/v) MPD.