4QQ7

Crystal Structure of Putative stringent starvation protein A from Burkholderia cenocepacia with bound glutathione

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2014-04-23
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	58.700, 95.200, 110.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.700 - 2.200
R-factor	0.1842
Rwork	0.182
R-free	0.22010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hoj
RMSD bond length	0.009
RMSD bond angle	1.182
Data scaling software	XSCALE
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX (dev_1702)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.260
High resolution limit [Å]	2.200	9.840	2.200
Rmerge	0.062	0.015	0.554
Number of reflections	32156
<I/σ(I)>	15.85	54.76	2.76
Completeness [%]	99.5	92.9	99.7
Redundancy	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	Morpheus(F5): 10% PEG-20,000, 20% PEG-MME-550, 0.1M MOPS/HEPES-Na, pH7.5, 0.02M each D-glucose, D-galactose, D-mannose, L-fucose, D-xylose, N-acetyl-D-glucosamine, VAPOR DIFFUSION, SITTING DROP, temperature 289K