6UUK

Crystal structure of muramoyltetrapeptide carboxypeptidase from Oxalobacter formigenes

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-06
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.97918
Spacegroup name	P 63
Unit cell lengths	82.443, 82.443, 149.293
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.826 - 2.348
R-factor	0.2093
Rwork	0.204
R-free	0.22930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zrs
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	HKL-3000
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.390
High resolution limit [Å]	2.348	6.370	2.348
Rmerge	0.099	0.054	0.760
Rmeas	0.107	0.058	0.854
Rpim	0.040	0.021	0.379
Number of reflections	23955	1225	1156
<I/σ(I)>	6.5
Completeness [%]	99.9	99.4	99.1
Redundancy	6.5	6.8	4.4
CC(1/2)		0.995	0.505

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	0.1 M HEPES, 25% PEG3350, 0.2M sodium chloride