9S9J

S. islandicus CdvB (closed)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-27
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.97942
Spacegroup name	P 41 21 2
Unit cell lengths	59.354, 59.354, 124.368
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.935 - 2.700
R-factor	0.2445
Rwork	0.243
R-free	0.26560
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	0.950
Data scaling software	SCALA
Phasing software	CRANK2
Refinement software	PHENIX ((dev_2919))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.940	2.740
High resolution limit [Å]	2.600	2.600
Rmerge	0.051	2.074
Rmeas	0.065	2.233
Rpim	0.019	0.610
Total number of observations		13574
Number of reflections	34815	1026
<I/σ(I)>	23.8	1.3
Completeness [%]	100.0
Redundancy	12.4	13.2
CC(1/2)	1.000	0.461

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	5% (v/v) 2-propanol, 1M ammonium sulphate or 0.2 M ammonium sulphate, 15% (w/v) PEG 4000, pH 3.5