2ZYF
Crystal structure of homocitrate synthase from Thermus thermophilus complexed with magnesuim ion and alpha-ketoglutarate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-5A |
Synchrotron site | Photon Factory |
Beamline | BL-5A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-12-21 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 135.465, 135.465, 126.612 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 31.510 - 2.150 |
R-factor | 0.20469 |
Rwork | 0.203 |
R-free | 0.23152 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ztj |
RMSD bond length | 0.014 |
RMSD bond angle | 1.400 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.230 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.112 | 0.546 |
Number of reflections | 37714 | |
<I/σ(I)> | 40.8 | 4.2 |
Completeness [%] | 99.9 | 100 |
Redundancy | 10.8 | 10.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 0.1M MES-NaOH (pH6.0), 1.6M Ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 293K |