3KDZ

X-ray crystal structure of a tyrosine aminomutase mutant construct with bound ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2007-05-03
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0000
Spacegroup name	P 21 21 2
Unit cell lengths	92.722, 145.941, 74.812
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.400 - 2.200
R-factor	0.205
Rwork	0.205
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ohy
RMSD bond length	0.008
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.200	2.200
Number of reflections	50347
<I/σ(I)>	28	4.3
Completeness [%]	99.9	100
Redundancy	14.3	14.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	293	4.6 M Sodium formate, 95 mM Trimethylamine N-oxide, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K