9HTZ
M2-32, a new class A acid phosphatase
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 | 2024-04-30 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 61.070, 123.637, 138.646 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 69.320 - 2.200 |
| R-factor | 0.2055 |
| Rwork | 0.204 |
| R-free | 0.24260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.636 |
| 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] | 69.320 | 2.260 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.165 | 1.105 |
| Rmeas | 0.185 | 1.227 |
| Rpim | 0.082 | 0.528 |
| Total number of observations | 272431 | 23216 |
| Number of reflections | 54038 | 4384 |
| <I/σ(I)> | 5.9 | 1.5 |
| Completeness [%] | 99.8 | |
| Redundancy | 5 | 5.3 |
| CC(1/2) | 0.994 | 0.629 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M Ammonium sulfate, 0.1 M Sodium cacodylate trihydrate pH 6.5, 30% w/v PEG 8K |
