4NJG

Crystal Structure of QueE from Burkholderia multivorans in complex with AdoMet and 6-carboxypterin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-07-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.990
Spacegroup name	P 43 21 2
Unit cell lengths	118.956, 118.956, 101.952
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.164 - 2.598
R-factor	0.184
Rwork	0.183
R-free	0.21050
Structure solution method	Fe-SAD
RMSD bond length	0.002
RMSD bond angle	0.602
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHARP
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.200	2.690
High resolution limit [Å]	2.598	2.598
Number of reflections	22950
<I/σ(I)>	18	2.5
Completeness [%]	90.0	99.4
Redundancy	3.6	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.8	294	anaerobic, 2.0 M sodium dipotassium phosphate, pH 6.8, 0.1 M sodium acetate, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K