3NRA

Crystal structure of an aspartate aminotransferase (YP_354942.1) from Rhodobacter sphaeroides 2.4.1 at 2.15 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-04-08
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97947
Spacegroup name	P 21 21 21
Unit cell lengths	67.291, 98.517, 127.883
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.775 - 2.150
R-factor	0.156
Rwork	0.153
R-free	0.20000
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	1.154
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	SOLVE
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.775	29.775	2.210
High resolution limit [Å]	2.150	9.620	2.150
Rmerge		0.049	0.631
Rmeas		0.058	0.723
Rpim		0.031	0.349
Total number of observations		2110	14304
Number of reflections	47045
<I/σ(I)>	7.2	15.5	2.2
Completeness [%]	100.0	96.8	100
Redundancy	4.1	3.6	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	1.0000M lithium chloride, 22.5000% polyethylene glycol 6000, 0.1M citric acid pH 5.0, NANODROP', VAPOR DIFFUSION, SITTING DROP, temperature 293K