4Q5T

Crystal structure of an atmB (putative membrane lipoprotein) from Streptococcus mutans UA159 at 1.91 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-09-19
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979068,0.979338,0.953725
Spacegroup name	C 2 2 21
Unit cell lengths	58.021, 106.053, 95.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.777 - 1.907
R-factor	0.185
Rwork	0.183
R-free	0.23020
Structure solution method	MAD
RMSD bond length	0.012
RMSD bond angle	1.239
Data reduction software	XDS
Data scaling software	XSCALE (March 15, 2012)
Phasing software	SHELX
Refinement software	PHENIX (1.8.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.777	28.777	1.980
High resolution limit [Å]	1.910	4.100	1.910
Rmerge	0.057	0.022	0.448
Number of reflections	23167	4406	4385
<I/σ(I)>	11.11	32.3	2
Completeness [%]	98.0	98.1	96.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.5	293	0.200M sodium chloride, 50.00% polyethylene glycol 400, 0.0100M Barium Chloride, 0.1M CHES pH 9.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K