5XYR

Crystal structure of a serine protease from Streptococcus species

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-18
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.987
Spacegroup name	P 62 2 2
Unit cell lengths	191.625, 191.625, 250.956
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.991 - 2.800
R-factor	0.2102
Rwork	0.209
R-free	0.25690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5xxz
RMSD bond length	0.011
RMSD bond angle	1.323
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((dev_2733: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.870
High resolution limit [Å]	2.800	2.800
Rmerge	0.206	0.608
Number of reflections	79790
<I/σ(I)>	10
Completeness [%]	99.7
Redundancy	18.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.65	298	0.2 M MgCl hexahydrate, 0.1 M Tris, pH 8.65, 28% PEG 3500