3RCM

crystal structure of EFI target 500140:TatD family hydrolase from Pseudomonas putida

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	2011-02-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9790
Spacegroup name	P 21 21 21
Unit cell lengths	51.007, 62.643, 88.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.550 - 2.050
R-factor	0.1748
Rwork	0.172
R-free	0.22596
Structure solution method	SAD
RMSD bond length	0.015
RMSD bond angle	1.446
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.050
Rmerge	0.066
Number of reflections	18299
<I/σ(I)>	41.1
Completeness [%]	98.9
Redundancy	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293	0.2M ammonium acetate, 0.1M sodium citrate PH 5.6, 30% PEG 4000, VAPOR DIFFUSION, SITTING DROP, temperature 293K