3EZ1

Crystal structure of putative aminotransferase (MocR family) (YP_604413.1) from DEINOCOCCUS GEOTHERMALIS DSM 11300 at 2.60 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-08-10
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 1 21 1
Unit cell lengths	62.720, 103.969, 73.815
Unit cell angles	90.00, 112.63, 90.00

Refinement procedure

Resolution	30.002 - 2.600
R-factor	0.226
Rwork	0.224
R-free	0.26400
Structure solution method	MR
Starting model (for MR)	3d6k
RMSD bond length	0.012
RMSD bond angle	1.476
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.002	30.002	2.670
High resolution limit [Å]	2.600	11.630	2.600
Rmerge	0.186	0.056	0.630
Total number of observations		850	5920
Number of reflections	26740
<I/σ(I)>	6.7	18.6	2
Completeness [%]	99.3	91.6	99.9
Redundancy	3	2.9	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	0.2000M MgCl2, 20.0000% PEG-8000, 0.1M TRIS pH 8.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K