8YZO

Crystal structural analysis of PaL mutant L297M

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-10-30
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97916
Spacegroup name	P 21 21 2
Unit cell lengths	81.754, 104.593, 62.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.720 - 1.769
Rwork	0.135
R-free	0.17290
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.630
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0411)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.720	1.810
High resolution limit [Å]	1.769	1.770
Rmerge	0.090	0.330
Number of reflections	52610	3822
<I/σ(I)>	25
Completeness [%]	99.9
Redundancy	13.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	Disodium malonate 0.1 M, pH7.0 , PEG3350 15%