5L8F

Crystal structure of Rhodospirillum rubrum Rru_A0973 mutant E32A, E62A, H65A.

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	2015-02-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.5
Spacegroup name	P 41 21 2
Unit cell lengths	92.096, 92.096, 217.105
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.408 - 2.247
R-factor	0.1822
Rwork	0.179
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5da5
RMSD bond length	0.012
RMSD bond angle	1.085
Data reduction software	Aimless
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.410	2.330
High resolution limit [Å]	2.247	2.247
Rmerge	0.112	0.865
Number of reflections	89902
<I/σ(I)>	11.79	1.72
Completeness [%]	99.0	99
Redundancy	5.8	5.3
CC(1/2)	0.997

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. 20% PEG3350 + 0.2 M Magnesium formate