3USS

Crystal structure of Cysteine dioxygenase from Pseudomonas aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	98
Detector technology	CCD
Collection date	2011-05-06
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.953700
Spacegroup name	P 21 21 21
Unit cell lengths	53.330, 86.790, 123.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.300 - 2.700
R-factor	0.20961
Rwork	0.206
R-free	0.27717
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2GM6
RMSD bond length	0.017
RMSD bond angle	1.753
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	70.910	53.330	2.850
High resolution limit [Å]	2.700	8.540	2.700
Rmerge	0.100	0.039	0.464
Number of reflections	16270
<I/σ(I)>	13.9	25.6	4.2
Completeness [%]	99.9	99.6	99.7
Redundancy	6.9	6.2	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	289	0.1M HEPES, 0.1M NaCl, 1.6M ammonium sulphate, cryo protection added 15%v/v glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K