6Q6J
Human phosphoserine phosphatase with substrate analogue homo-cysteic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-09-30 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97857 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 49.230, 130.490, 157.760 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.943 - 1.985 |
| R-factor | 0.2005 |
| Rwork | 0.198 |
| R-free | 0.24680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6hyy |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.8.1) |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.943 | 2.056 |
| High resolution limit [Å] | 1.985 | 1.985 |
| Rmerge | 0.019 | 0.233 |
| Rmeas | 0.026 | 0.330 |
| Rpim | 0.019 | 0.233 |
| Number of reflections | 35482 | 3380 |
| <I/σ(I)> | 17.4 | 2.29 |
| Completeness [%] | 99.5 | 96.24 |
| Redundancy | 2 | 2 |
| CC(1/2) | 1.000 | 0.969 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | Sodium cacodylate 0.1M pH6.5; CaCl2 0.3M; PEG 2000 20%; DMSO 4% |
