4JXU

Structure of aminotransferase ilvE2 from Sinorhizobium meliloti complexed with PLP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2012-11-10
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97857
Spacegroup name	P 21 21 2
Unit cell lengths	98.799, 76.006, 93.669
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.030 - 2.400
R-factor	0.169
Rwork	0.167
R-free	0.21240
Structure solution method	SAD
RMSD bond length	0.015
RMSD bond angle	1.690
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELX
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.440
High resolution limit [Å]	2.400	6.510	2.400
Rmerge	0.133	0.032	0.776
Number of reflections	27658
<I/σ(I)>	5.7
Completeness [%]	97.4	92.3	98.8
Redundancy	4.9	4.8	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2		200 mM NaCl, 100 mM Phosphate-citrate pH 4.2, 20 % PEG 8000, VAPOR DIFFUSION, SITTING DROP