5L89

Crystal structure of Rhodospirillum rubrum Rru_A0973 mutant E32A

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)	1.7311
Spacegroup name	P 1 21 1
Unit cell lengths	97.783, 120.281, 140.534
Unit cell angles	90.00, 95.41, 90.00

Refinement procedure

Resolution	48.840 - 2.590
R-factor	0.188
Rwork	0.186
R-free	0.22110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5da5
RMSD bond length	0.003
RMSD bond angle	0.530
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]	48.840	2.683
High resolution limit [Å]	2.590	2.590
Rmerge	0.171	0.792
Number of reflections	100067
<I/σ(I)>	8.46	1.79
Completeness [%]	99.0	97
Redundancy	4.1	3.7
CC(1/2)	0.985

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 14% PEG3350 + 0.14 M CaAc