9SCV
Human bisphosphoglycerate mutase (hBPGM) complexed with citrate.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-09-04 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.774899 |
| Spacegroup name | P 1 |
| Unit cell lengths | 38.171, 47.665, 146.825 |
| Unit cell angles | 88.81, 83.11, 84.66 |
Refinement procedure
| Resolution | 48.590 - 1.900 |
| R-factor | 0.1883 |
| Rwork | 0.186 |
| R-free | 0.22500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.781 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.21.2_5419: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 145.760 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.033 | 0.590 |
| Rmeas | 0.047 | 0.834 |
| Rpim | 0.033 | 0.590 |
| Total number of observations | 141946 | 8194 |
| Number of reflections | 78343 | 4387 |
| <I/σ(I)> | 5.3 | 0.8 |
| Completeness [%] | 97.2 | |
| Redundancy | 1.8 | 1.9 |
| CC(1/2) | 0.998 | 0.626 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | COUNTER-DIFFUSION | 8 | 293.5 | 0.2 M Ammonium acetate, 0.1 M Sodium citrate tribasic dihydrate pH 5.6, 30% w/v Polyethylene glycol 4,000 |
