6FXQ

Structure of coproheme decarboxylase from Listeria monocytogenes during turnover

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9537
Spacegroup name	P 1 21 1
Unit cell lengths	77.687, 129.369, 77.916
Unit cell angles	90.00, 105.52, 90.00

Refinement procedure

Resolution	49.004 - 1.690
R-factor	0.1789
Rwork	0.178
R-free	0.21440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wws
RMSD bond length	0.014
RMSD bond angle	1.238
Data reduction software	XDS
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX (dev_2645)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.004	1.750
High resolution limit [Å]	1.690	1.690
Rmerge	0.189	1.748
Rmeas	0.231	2.141
Rpim	0.131	1.223
Number of reflections	162948
<I/σ(I)>	2.93
Completeness [%]	98.0
Redundancy	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	295	0.1 M bicine pH 9.0 10 % (w/v) PEG6000