2NXV

Structure of the 6th ORF of the Rhodobacter blastica ATPase operon; Majastridin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-3
Synchrotron site	MAX II
Beamline	I911-3
Detector technology	CCD
Detector	MAR CCD 165 mm
Spacegroup name	P 21 21 2
Unit cell lengths	121.873, 90.311, 69.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.960 - 1.100
R-factor	0.13809
Rwork	0.137
R-free	0.15544
Structure solution method	SAD based on native sulphurs
RMSD bond length	0.016
RMSD bond angle	1.638
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELXS
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.560	1.160
High resolution limit [Å]	1.100	1.100
Rmerge	0.050	0.355
Number of reflections	295175
<I/σ(I)>	7.8	2.2
Completeness [%]	95.3	71.2
Redundancy	4.4	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1