2HFB

Crystal structure of selenomethionine-labelled RafE from Streptococcus pneumoniae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX14.2
Synchrotron site	SRS
Beamline	PX14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2004-12-17
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9792
Spacegroup name	P 61 2 2
Unit cell lengths	144.538, 144.538, 224.082
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.510 - 2.900
Rwork	0.248
R-free	0.29000
RMSD bond length	0.022
RMSD bond angle	2.239
Data scaling software	d*TREK (9.5L)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.510	29.510	3.000
High resolution limit [Å]	2.900	6.230	2.900
Rmerge	0.083	0.035	0.417
Total number of observations		66373	67149
Number of reflections	57961
<I/σ(I)>	15.2	42.9	5.4
Completeness [%]	100.0	99.9	100
Redundancy	11.54	11.33	11.56

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.1	295	1.8M Ammonium sulfate, 0.1M Na citrate pH 5.1, 0.2M MgCl2, VAPOR DIFFUSION, SITTING DROP, temperature 295K