5E25
Crystal structure of branched-chain aminotransferase from thermophilic archaea Geoglobus acetivorans complexed with alpha-ketoglutarate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-12-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 117.310, 117.310, 135.310 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 58.650 - 2.200 |
R-factor | 0.1525 |
Rwork | 0.150 |
R-free | 0.20850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2eiy |
RMSD bond length | 0.019 |
RMSD bond angle | 2.111 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless (0.1.27) |
Phasing software | BALBES |
Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 67.660 | 67.660 | 2.260 |
High resolution limit [Å] | 2.200 | 9.330 | 2.200 |
Rmerge | 0.129 | 0.073 | 0.655 |
Rpim | 0.031 | 0.017 | 0.156 |
Total number of observations | 974881 | 15056 | 81992 |
Number of reflections | 55018 | ||
<I/σ(I)> | 15.1 | 34.1 | 4.9 |
Completeness [%] | 99.9 | 99.7 | 99.8 |
Redundancy | 17.7 | 18.4 | 18.4 |
CC(1/2) | 0.998 | 0.998 | 0.926 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 0.2M CaCl2, 0.1M Na acetate, 20% isopropanol |