4GEK

Crystal Structure of wild-type CmoA from E.coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2012-03-23
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9790
Spacegroup name	P 21 21 2
Unit cell lengths	65.314, 78.677, 92.372
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.180 - 1.500
R-factor	0.1725
Rwork	0.171
R-free	0.20275
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1im8
RMSD bond length	0.018
RMSD bond angle	1.494
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0025)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.500
Rmerge	0.061
Number of reflections	76870
<I/σ(I)>	29.7
Completeness [%]	99.9
Redundancy	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	0.2M Li2SO4, 0.1M Bis-Tris:HCl pH 5.5, 25% PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K