4JEY

E198A mutant of N-acetylornithine aminotransferase from Salmonella typhimurium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2012-07-18
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9537
Spacegroup name	P 21 21 2
Unit cell lengths	96.790, 111.860, 65.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.000 - 1.550
R-factor	0.15959
Rwork	0.158
R-free	0.18334
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2pb0
RMSD bond length	0.009
RMSD bond angle	1.360
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]	111.860	28.000	1.630
High resolution limit [Å]	1.550	4.900	1.550
Rmerge	0.070	0.030	0.550
Number of reflections	94369
<I/σ(I)>	16.9	43.4	3.5
Completeness [%]	91.6	99.5	79.3
Redundancy	6.4	6.9	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	10.5	295	20% PEG 3350, 0.5M Ammonium acetate, 0.1M CAPS, pH 10.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K