9SCX
The R90C clinical variant of human bisphosphoglycerate mutase (hBPGM).
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-02-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 |
| Unit cell lengths | 37.990, 47.781, 146.969 |
| Unit cell angles | 90.02, 97.00, 95.34 |
Refinement procedure
| Resolution | 45.380 - 2.350 |
| R-factor | 0.2317 |
| Rwork | 0.229 |
| R-free | 0.27590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.001 |
| RMSD bond angle | 0.394 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.21.2_5419: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.570 | 2.430 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.108 | 0.676 |
| Rmeas | 0.149 | 0.927 |
| Rpim | 0.102 | 0.631 |
| Total number of observations | 71968 | 5608 |
| Number of reflections | 39714 | 3415 |
| <I/σ(I)> | 3.5 | 0.9 |
| Completeness [%] | 93.3 | |
| Redundancy | 1.8 | 1.6 |
| CC(1/2) | 0.932 | 0.484 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.5 | 0.2 M Ammonium acetate, 0.1 M Sodium citrate tribasic dihydrate pH 5.6, 30% w/v Polyethylene glycol 4,000 |
