6RN5

PptA from Streptomyces chartreusis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-08-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.905002
Spacegroup name	C 2 2 21
Unit cell lengths	49.303, 132.233, 116.398
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.196 - 2.037
R-factor	0.193
Rwork	0.191
R-free	0.23700
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	1.532
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0218 2018/15/02)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.196	2.160
High resolution limit [Å]	2.037	2.037
Rmerge	0.106	0.916
Rmeas	0.111	0.971
Number of reflections	24547	3733
<I/σ(I)>	19.2	2.26
Completeness [%]	98.9	94.5
Redundancy	12.3	8.9
CC(1/2)	0.999	0.711

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	295	100 mM MES/HCl pH 6.5, 1.6 M MgSO4