4DY4

High resolution structure of E.coli WrbA with FMN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-01-27
Detector	RAYONIX MX-225
Wavelength(s)	0.9171
Spacegroup name	P 41 21 2
Unit cell lengths	61.150, 61.150, 169.590
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.710 - 1.200
R-factor	0.1501
Rwork	0.149
R-free	0.17120
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.536
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	22.710	22.710	1.230
High resolution limit [Å]	1.200	5.370	1.200
Rmerge	0.064	0.028	0.677
Total number of observations		8373	27490
Number of reflections	97715
<I/σ(I)>	14.3	21.5	1.1
Completeness [%]	96.6	93.4	75.1
Redundancy	7.6	6.8	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	287	28% PEG3350, 0.5 M Bis-Tris, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 287K