6RIA

Bactofilin from Thermus thermophilus, F105R mutant crystal structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-01-19
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97623
Spacegroup name	I 21 21 21
Unit cell lengths	191.866, 244.896, 505.917
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.887 - 3.500
R-factor	0.284
Rwork	0.283
R-free	0.30690
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.682
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.690
High resolution limit [Å]	3.500	3.500
Rmerge	0.123	0.541
Rpim	0.070	0.309
Number of reflections	147502	84093
<I/σ(I)>	7.1
Completeness [%]	99.2	99.7
Redundancy	3.8	3.9
CC(1/2)	0.996	0.869

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	3.7	292	6.7-7.3 v/v % 2-propanol, 0.17-0.19 M lithium sulfate, 0.1 M phosphate citrate, pH 3.7 and 0.4 M ammonium acetate as an additive