4GRH

Crystal structure of pabB of Stenotrophomonas maltophilia

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
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0809
Spacegroup name	P 63 2 2
Unit cell lengths	161.300, 161.300, 116.089
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.570 - 2.250
R-factor	0.19633
Rwork	0.194
R-free	0.24038
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1k0g
RMSD bond length	0.019
RMSD bond angle	2.159
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall
Low resolution limit [Å]	46.600
High resolution limit [Å]	2.250
Rmerge	0.062
Number of reflections	42573
<I/σ(I)>	20.1
Completeness [%]	100.0
Redundancy	42.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.8	295	0.05 M magnesium chloride, 0.1 M HEPES, 12-15% w/v PEG550 MME, 0.1% CHAPS, pH 7.8, VAPOR DIFFUSION, SITTING DROP, temperature 295K