3C3B
Crystal Structure of human phosphoglycerate kinase bound to D-CDP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-03-26 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.933 |
| Spacegroup name | P 1 |
| Unit cell lengths | 35.579, 55.588, 93.805 |
| Unit cell angles | 78.92, 84.32, 82.95 |
Refinement procedure
| Resolution | 50.940 - 1.800 |
| R-factor | 0.17137 |
| Rwork | 0.169 |
| R-free | 0.24110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vjc |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.000 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.4.0062) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.960 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.042 | 0.370 |
| Number of reflections | 54699 | |
| <I/σ(I)> | 14.6 | 3 |
| Completeness [%] | 87.2 | 50.2 |
| Redundancy | 1.9 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.3 | 291 | 2.6M NaKPO4, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
