3GA8

Structure of the N-terminal domain of the E. coli protein MqsA (YgiT/b3021)

Experimental procedure

Experimental method	SAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X6A
Synchrotron site	NSLS
Beamline	X6A
Temperature [K]	100
Detector technology	CCD
Collection date	2008-12-04
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9787
Spacegroup name	P 21 21 21
Unit cell lengths	30.841, 52.106, 53.767
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.420 - 1.700
R-factor	0.16591
Rwork	0.165
R-free	0.18559
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.283
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXS
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.730
High resolution limit [Å]	1.700	1.700
Number of reflections	9796
<I/σ(I)>	21.1	6.62
Completeness [%]	97.4	96.7
Redundancy	5	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.1	298	30% PEG 4000, 0.1M Tris, 0.2M sodium selenate, pH 8.1, VAPOR DIFFUSION, SITTING DROP, temperature 298K
1	VAPOR DIFFUSION, SITTING DROP	8.1	298	30% PEG 4000, 0.1M Tris, 0.2M sodium selenate, pH 8.1, VAPOR DIFFUSION, SITTING DROP, temperature 298K
1	VAPOR DIFFUSION, SITTING DROP	8.1	298	30% PEG 4000, 0.1M Tris, 0.2M sodium selenate, pH 8.1, VAPOR DIFFUSION, SITTING DROP, temperature 298K