2IIR
Acetate kinase from a hypothermophile Thermotoga maritima
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-C |
Synchrotron site | APS |
Beamline | 14-BM-C |
Detector technology | CCD |
Collection date | 2004-10-25 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.90000 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 105.434, 300.333, 334.898 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 3.300 |
R-factor | 0.23 |
Rwork | 0.229 |
R-free | 0.25300 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.277 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 99.000 | 3.420 |
High resolution limit [Å] | 3.300 | 3.300 |
Rmerge | 0.090 | 0.264 |
Number of reflections | 78832 | |
<I/σ(I)> | 10.5 | |
Completeness [%] | 97.9 | 88.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 293 | 100mM Ches, 36% MPD, 50mM Calcium Chloride, pH 9.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |