8PIO
Crystal structure of Ser33 in complex with PHP (3-phosphohydroxypyruvate)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-02-02 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9999 |
| Spacegroup name | P 1 |
| Unit cell lengths | 60.600, 95.150, 108.370 |
| Unit cell angles | 69.84, 88.72, 85.65 |
Refinement procedure
| Resolution | 52.040 - 2.600 |
| R-factor | 0.22431 |
| Rwork | 0.222 |
| R-free | 0.26170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yba |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.132 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.040 | 2.693 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Number of reflections | 68361 | 6350 |
| <I/σ(I)> | 9.82 | 1.09 |
| Completeness [%] | 97.9 | |
| Redundancy | 5.1 | |
| CC(1/2) | 0.992 | 0.604 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M SPG pH=6 25 % w/v PEG 1500 7.4 mg/ml of protein in 25 mM Tris pH=7.5 and 150 mM NaCl |
