3F79

Structure of pseudo-centered cell crystal form of the C-terminal phosphatase domain of P. aeruginosa RssB

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2007-11-05
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97930
Spacegroup name	P 31
Unit cell lengths	124.872, 124.872, 92.900
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	14.997 - 2.800
R-factor	0.2455
Rwork	0.243
R-free	0.29750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3es2
RMSD bond length	0.003
RMSD bond angle	0.669
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.900
High resolution limit [Å]	2.800	6.030	2.800
Rmerge	0.079	0.049	0.211
Number of reflections	78607
<I/σ(I)>	14.174
Completeness [%]	98.2	98.2	87.2
Redundancy	2.7	2.8	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1