5Z03

Mutant (S106A) Escherichia coli L,D-carboxypeptidase A (LdcA)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-09
Detector	DECTRIS PILATUS 300K
Wavelength(s)	0.98
Spacegroup name	P 21 21 2
Unit cell lengths	68.823, 93.379, 86.793
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.689 - 1.755
Rwork	0.227
R-free	0.26910
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	1.902
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.700	1.770
High resolution limit [Å]	1.750	1.750
Rmerge	0.097	0.832
Rpim	0.057	0.368
Number of reflections	56189	56189
<I/σ(I)>	11.2	2
Completeness [%]	99.1	85
Redundancy	6.5	5.5
CC(1/2)	0.999	0.491

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.02M Tris Cl pH 8.5, 0.2M sodium thiocyanate, 12% PEG 3350