5L8G

Crystal structure of Rhodospirillum rubrum Rru_A0973 mutant H65A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-02-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.7408
Spacegroup name	P 1 21 1
Unit cell lengths	98.031, 120.294, 140.432
Unit cell angles	90.00, 95.39, 90.00

Refinement procedure

Resolution	48.860 - 2.974
R-factor	0.1981
Rwork	0.196
R-free	0.24220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5da5
RMSD bond length	0.002
RMSD bond angle	0.400
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.860	3.080
High resolution limit [Å]	2.970	2.970
Rmerge	0.177	0.863
Number of reflections	133674
<I/σ(I)>	8.9	1.74
Completeness [%]	100.0	99
Redundancy	4.9	4.9
CC(1/2)	0.989

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	1-2 ul protein mixed with 1 ul well solution over 1 ml well solution. 15% (w/v) PEG3350+ 15% calcium acetate