2OBA

Pseudomonas aeruginosa 6-pyruvoyl tetrahydrobiopterin synthase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2006-10-07
Detector	ADSC QUANTUM 210
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	76.082, 87.521, 124.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.220 - 2.330
R-factor	0.189
Rwork	0.186
R-free	0.25600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1b66
RMSD bond length	0.014
RMSD bond angle	1.488
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.220	50.000	2.400
High resolution limit [Å]	2.320	5.000	2.320
Rmerge	0.040	0.025	0.251
Number of reflections	33806
<I/σ(I)>	14.1
Completeness [%]	98.4	94.5	94.8
Redundancy	3.3	3.2	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	298	0.2M lithium sulphate, 0.1M Tris HCl, 30% PEG3000 frozen in 70%paratone/30% mineral oil, pH 9, VAPOR DIFFUSION, SITTING DROP, temperature 298K