4DS3

Crystal Structure of Phosphoribosylglycinamide formyltransferase from Brucella melitensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2012-02-03
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54
Spacegroup name	C 2 2 21
Unit cell lengths	55.595, 134.063, 56.663
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.850
R-factor	0.1865
Rwork	0.184
R-free	0.23150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tqr
RMSD bond length	0.021
RMSD bond angle	2.094
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.920
High resolution limit [Å]	1.850	3.990	1.850
Rmerge	0.071	0.058	0.312
Number of reflections	17663
<I/σ(I)>	16.5
Completeness [%]	95.7	92	95.2
Redundancy	3.1	4.3	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	290	2.0 M ammonium sulfate, 200 mM sodium chloride, 100 mM sodium cacodylate pH 6.50, BrmeA.01059.a.A1 PS01278 81.6 mg/ml, VAPOR DIFFUSION, SITTING DROP, temperature 290K