6E8L

Crystal Structure of Alkyl hydroperoxidase D (AhpD) from Streptococcus pneumoniae (Strain D39/ NCTC 7466)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	110
Detector technology	PIXEL
Collection date	2018-07-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953717
Spacegroup name	P 21 21 21
Unit cell lengths	65.296, 84.233, 183.846
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.000 - 2.300
Rwork	0.196
R-free	0.24200
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.000	2.540
High resolution limit [Å]	2.300	2.440
Rmerge	0.096	0.472
Rmeas	0.106	0.518
Rpim	0.044	0.212
Number of reflections	45900	4142
<I/σ(I)>	10.5	3.2
Completeness [%]	99.3	96
Redundancy	5.7
CC(1/2)	0.998	0.859

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	281.15	0.1 M Bis-tris propane, 0.2 M Magnesium chloride hexahydrate, 25% w/v PEG 3350, 6% v/v 1,2-Propandiol