4MEV

Crystal structure of a TRAP periplasmic solute binding protein from Rhodoferax ferrireducens (Rfer_1840), Target EFI-510211, with bound malonate, space group I422

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-08-23
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54
Spacegroup name	I 4 2 2
Unit cell lengths	129.947, 129.947, 104.272
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.509 - 1.800
R-factor	0.1443
Rwork	0.143
R-free	0.17200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mco
RMSD bond length	0.010
RMSD bond angle	1.259
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	1.830
High resolution limit [Å]	1.800	4.890	1.800
Rmerge	0.085	0.027	0.658
Number of reflections	41044
<I/σ(I)>	8.6
Completeness [%]	99.0	93.1	100
Redundancy	4.9	5	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7		50 mg/mL protein in 10 mM HEPES, pH 7.5, 10 mM malonate, reservoir (MCSG4 C1): 0.1 M Bis-Tris Propane, pH 7.0, 2 M diammonium hydrogen citrate, cryoprotection: 4:1 2.5 M diammonium hydrogen citrate:reservoir, VAPOR DIFFUSION, SITTING DROP