6BAI
Multiconformer model of apo K197C PTP1B at 100 K
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-12-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.11583 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 87.265, 87.265, 104.103 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 75.574 - 1.950 |
| R-factor | 0.2079 |
| Rwork | 0.206 |
| R-free | 0.25690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.302 |
| Data reduction software | XDS (Jun 1, 2017) |
| Data scaling software | XDS (Jun 1, 2017) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 75.574 | 75.574 | 2.000 |
| High resolution limit [Å] | 1.950 | 8.720 | 1.950 |
| Rmerge | 0.075 | 0.022 | 3.027 |
| Rmeas | 0.077 | 0.023 | 3.107 |
| Total number of observations | 651902 | ||
| Number of reflections | 33312 | 436 | 2419 |
| <I/σ(I)> | 24 | 91.74 | 1.01 |
| Completeness [%] | 98.1 | 99.8 | 98.1 |
| Redundancy | 19.57 | 16.683 | 19.509 |
| CC(1/2) | 1.000 | 1.000 | 0.416 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 277 | well solution: 0.3 M magnesium acetate, 0.1 M HEPES pH 7.5, 0.1% beta-mercaptoethanol, 10-26% PEG 8000, 2% ethanol |
