3CMC
Thioacylenzyme intermediate of Bacillus stearothermophilus phosphorylating GAPDH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
| Synchrotron site | EMBL/DESY, Hamburg |
| Beamline | X13 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-02-20 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.806 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 81.670, 122.630, 81.790 |
| Unit cell angles | 90.00, 111.12, 90.00 |
Refinement procedure
| Resolution | 29.500 - 1.770 |
| R-factor | 0.163 |
| Rwork | 0.161 |
| R-free | 0.19800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.266 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | TNT |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.500 | 1.880 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmerge | 0.028 | 0.189 |
| Number of reflections | 142733 | |
| <I/σ(I)> | 32.1 | 6.5 |
| Completeness [%] | 98.7 | 92.9 |
| Redundancy | 3.7 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 293 | 2.7 M Ammonium Sulfate, 100 mM Tris-HCl buffer pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
