3FMY

Structure of the C-terminal domain of the E. coli protein MQSA (YgiT/b3021)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X6A
Synchrotron site	NSLS
Beamline	X6A
Temperature [K]	100
Detector technology	CCD
Collection date	2008-07-18
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0
Spacegroup name	P 31 2 1
Unit cell lengths	39.573, 39.573, 78.306
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.770 - 1.400
R-factor	0.15654
Rwork	0.155
R-free	0.18151
Structure solution method	MAD
RMSD bond length	0.011
RMSD bond angle	1.413
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.420
High resolution limit [Å]	1.400	1.400
Number of reflections	14556
<I/σ(I)>	31.5	6.19
Completeness [%]	99.6	99.2
Redundancy	5.7	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	20% PEG 300, 5% PEG 8000, 10% glycerol, 0.1M Tris, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	20% PEG 300, 5% PEG 8000, 10% glycerol, 0.1M Tris, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K