3JZV

Crystal structure of Rru_A2000 from Rhodospirillum rubrum: A cupin-2 domain.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2009-08-02
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9793
Spacegroup name	H 3 2
Unit cell lengths	90.886, 90.886, 161.252
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	23.580 - 2.300
R-factor	0.227
Rwork	0.225
R-free	0.27800
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	1.492
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	2.340
High resolution limit [Å]	2.300	6.210	2.300
Rmerge	0.106	0.097	0.416
Number of reflections	11778
<I/σ(I)>	12.8
Completeness [%]	99.9	98	100
Redundancy	7	6.2	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	15 % MPD, 0.1M Sodium Hepes pH 7.5, 0.8M Potassium Sodium Tartrate tetrahydrate, VAPOR DIFFUSION, SITTING DROP, temperature 298K
1	VAPOR DIFFUSION, SITTING DROP	7.5	298	15 % MPD, 0.1M Sodium Hepes pH 7.5, 0.8M Potassium Sodium Tartrate tetrahydrate, VAPOR DIFFUSION, SITTING DROP, temperature 298K