3H0L

Structure of trna-dependent amidotransferase gatcab from aquifex aeolicus

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2006-03-24
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0274,0.9804
Spacegroup name	P 1
Unit cell lengths	127.482, 131.012, 154.668
Unit cell angles	90.02, 90.00, 89.91

Refinement procedure

Resolution	40.500 - 2.300
R-factor	0.24169
Rwork	0.240
R-free	0.27260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB entries 2GI3 and 2G5H
RMSD bond length	0.012
RMSD bond angle	1.396
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASES
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.500	2.350
High resolution limit [Å]	2.300	2.300
Rmerge	0.060	0.347
Number of reflections	405875
<I/σ(I)>	11.5	1.8
Completeness [%]	91.5	73.7
Redundancy	1.9	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	1:1 ratio of Protein solution (6-9mg/ml GatCAB,10mM HEPES, 50uM Zn acetate,10mM Asn, 0.6mM ATP) mix with well solution (10-12% PEG3350, 10mM Mg formate), pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	1:1 ratio of Protein solution (6-9mg/ml GatCAB,10mM HEPES, 50uM Zn acetate,10mM Asn, 0.6mM ATP) mix with well solution (10-12% PEG3350, 10mM Mg formate), pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K