7THI
Human Bisphosphoglycerate Mutase complexed with 2-phosphoglycolate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-05-18 |
| Detector | DECTRIS PILATUS3 R 300K |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.607, 71.758, 159.294 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.490 - 1.330 |
| R-factor | 0.1356 |
| Rwork | 0.134 |
| R-free | 0.16020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2h4x |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.909 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.19.2-4158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 65.430 | 65.430 | 1.400 |
| High resolution limit [Å] | 1.330 | 4.200 | 1.330 |
| Rmerge | 0.056 | 0.042 | 1.009 |
| Rmeas | 0.058 | 0.043 | 1.050 |
| Rpim | 0.016 | 0.013 | 0.291 |
| Total number of observations | 1638029 | 51071 | 241143 |
| Number of reflections | 129374 | 4447 | 18682 |
| <I/σ(I)> | 20.2 | 54.2 | 2.5 |
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 12.7 | 11.5 | 12.9 |
| CC(1/2) | 0.999 | 0.999 | 0.896 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 27% to 30% PEG 6000, bisTris propane, pH 8.0 |
