7GU1
PanDDA analysis group deposition of ground-state model of PTP1B, using pre-clustering, cluster7
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-09-25 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92819 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 90.136, 90.136, 106.678 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 63.000 - 1.590 |
| R-factor | 0.1994 |
| Rwork | 0.199 |
| R-free | 0.21740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 62.996 | 62.996 | 1.690 |
| High resolution limit [Å] | 1.590 | 4.770 | 1.590 |
| Rmerge | 0.066 | 0.038 | 1.159 |
| Rmeas | 0.073 | 0.042 | 1.291 |
| Total number of observations | 670799 | ||
| Number of reflections | 129159 | 4836 | 20865 |
| <I/σ(I)> | 12.17 | 39.58 | 1.17 |
| Completeness [%] | 99.8 | 99.9 | 99.2 |
| CC(1/2) | 0.999 | 0.998 | 0.519 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.3 M magnesium acetate, 0.1 M HEPES pH 7.5, 0.1% beta-mercaptoethanol, 13-14% PEG 8000, 2% ethanol |
