3OSV

The crytsal structure of FLGD from P. Aeruginosa

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	BSRF BEAMLINE 3W1A
Synchrotron site	BSRF
Beamline	3W1A
Detector technology	CCD
Collection date	2009-02-10
Detector	MAR CCD 165 mm
Wavelength(s)	0.9790, 0.9793
Spacegroup name	I 2 2 2
Unit cell lengths	114.828, 118.379, 118.301
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.070 - 2.350
R-factor	0.214
Rwork	0.211
R-free	0.26800
Structure solution method	MAD
RMSD bond length	0.022
RMSD bond angle	1.996
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	REFMAC (5.5.0072)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.345	2.350
Rmerge	0.069	0.069
Number of reflections	34082
<I/σ(I)>	5	0.026
Completeness [%]	99.8	99.9
Redundancy	3.7	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.6	293	0.1M MES, PH 6.60-6.80, 20% PEG 6000, VAPOR DIFFUSION, temperature 293K