2ITB

CRYSTAL STRUCTURE OF A PUTATIVE TRNA-(MS(2)IO(6)A)-HYDROXYLASE (PP_2188) FROM PSEUDOMONAS PUTIDA KT2440 AT 2.05 A RESOLUTION

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2006-08-30
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9740, 0.9799, 0.9798
Spacegroup name	P 21 21 21
Unit cell lengths	61.274, 70.215, 84.285
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.796 - 2.050
R-factor	0.174
Rwork	0.171
R-free	0.22900
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.599
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.796	28.800	2.100
High resolution limit [Å]	2.000	9.170	2.050
Rmerge	0.102	0.033	0.817
Total number of observations		884	5935
Number of reflections	23439
<I/σ(I)>	6.6	15.2	0.9
Completeness [%]	99.9	96.7	99.9
Redundancy	3.4	2.9	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1			293	30.0% Ethylene-Glycol, 0.1M NaAcetate, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 293K