3Q5M

Crystal structure of Escherichia coli BamD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BSRF BEAMLINE 3W1A
Synchrotron site	BSRF
Beamline	3W1A
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-21
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.9791
Spacegroup name	P 41 2 2
Unit cell lengths	106.549, 106.549, 65.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.602 - 2.604
R-factor	0.2207
Rwork	0.216
R-free	0.26130
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.155
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.107	0.624
Number of reflections	10307
<I/σ(I)>	41.38	2.8
Completeness [%]	86.2	99.9
Redundancy	23.3	10.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	0.14M KI, 26%-27% PEG3350, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K