4MLD

X-ray structure of ComE D58E REC domain from Streptococcus pneumoniae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-04-09
Detector	PSI PILATUS 6M
Wavelength(s)	0.980110
Spacegroup name	P 63
Unit cell lengths	90.850, 90.850, 140.250
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.400 - 2.880
R-factor	0.1972
Rwork	0.195
R-free	0.23920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4B1N
RMSD bond length	0.003
RMSD bond angle	0.699
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall
Low resolution limit [Å]	45.400
High resolution limit [Å]	2.880
Rmerge	0.167
Number of reflections	14816
<I/σ(I)>	21.74
Completeness [%]	99.8
Redundancy	19.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291.2	20% PEG 3350, 0.2M potassium thiocynate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291.2K