2HUU

Crystal structure of Aedes aegypti alanine glyoxylate aminotransferase in complex with alanine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	200
Detector technology	CCD
Collection date	2006-06-28
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9795
Spacegroup name	H 3
Unit cell lengths	137.116, 137.116, 120.300
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.160 - 2.100
R-factor	0.152
Rwork	0.150
R-free	0.19500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2huf
RMSD bond length	0.018
RMSD bond angle	1.895
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.180
High resolution limit [Å]	2.100	4.520	2.100
Rmerge	0.093	0.039	0.483
Number of reflections	49253
<I/σ(I)>	9.5
Completeness [%]	100.0	100	100
Redundancy	11.4	11.4	11.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	12% PEG 8000, 0.13 M magnesium acetate, 4% butanol, 0.1 M cacodylic acid, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K