4JEV

N-acetylornithine aminotransferase from S. typhimurium complexed with gabaculine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-01-08
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	96.660, 111.860, 65.170
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.690 - 1.670
R-factor	0.16423
Rwork	0.163
R-free	0.18807
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pb0
RMSD bond length	0.008
RMSD bond angle	1.258
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	36.810	36.690	1.760
High resolution limit [Å]	1.670	5.270	1.670
Rmerge	0.106	0.050	0.570
Number of reflections	82245
<I/σ(I)>	15.4	45.3	3.1
Completeness [%]	98.6	99.7	90.7
Redundancy	6.8	7.1	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	295	10% PEG 3350, 0.5M ammonium acetate, 0.1M Tris, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K