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 |