3Q9D

Crystal Structure of Cpn0803 from C. pneumoniae.

Experimental procedure

Experimental method	SAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2010-11-25
Detector	ADSC QUANTUM 315
Spacegroup name	P 63
Unit cell lengths	86.392, 86.392, 99.591
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.196 - 2.000
R-factor	0.1774
Rwork	0.176
R-free	0.20850
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.233
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	PHENIX ((phenix.refine: dev_597))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.091	0.669
Number of reflections	28547
<I/σ(I)>	2.09	4.1
Completeness [%]	100.0	100
Redundancy	9.7	9.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7	298	0.2M potassium nitrate, 20% PEG 3350, pH 7.0, VAPOR DIFFUSION, temperature 298K
1		7	298	0.2M potassium nitrate, 20% PEG 3350, pH 7.0, VAPOR DIFFUSION, temperature 298K