4AXX
The catalytically active fully closed conformation of human phosphoglycerate kinase in complex with ADP 3-phosphoglycerate and beryllium trifluoride
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-04-08 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 38.820, 90.800, 108.540 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.740 |
| R-factor | 0.17161 |
| Rwork | 0.170 |
| R-free | 0.20650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wzc |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.544 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0116) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.500 | 1.830 |
| High resolution limit [Å] | 1.740 | 1.740 |
| Rmerge | 0.070 | 0.570 |
| Number of reflections | 34680 | |
| <I/σ(I)> | 11.9 | 2.3 |
| Completeness [%] | 86.9 | 89.9 |
| Redundancy | 3.5 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 32% PEG2000MME, 0.1M BIS/TRIS PH 6.5 |
