4FUV

Crystal Structure of Acinetobacter baumannii CarO

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X6A
Synchrotron site	NSLS
Beamline	X6A
Temperature [K]	100
Detector technology	CCD
Collection date	2012-02
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9784, 0.9788, 0.9184
Spacegroup name	C 2 2 21
Unit cell lengths	61.526, 120.867, 112.195
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.110 - 2.151
R-factor	0.2057
Rwork	0.202
R-free	0.24190
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.192
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AutoSol
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.190
High resolution limit [Å]	2.150	2.150
Number of reflections	22958
<I/σ(I)>	39.3	2.14
Completeness [%]	99.1	91.2
Redundancy	6	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	291.15	25% PEG 1000, 0.1M lithium sulfate, 0.1M sodium sulfate, 0.05M sodium acetate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 291.15K
1	VAPOR DIFFUSION, HANGING DROP	5.5	291.15	25% PEG 1000, 0.1M lithium sulfate, 0.1M sodium sulfate, 0.05M sodium acetate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 291.15K