5D6K
PepT - CIM
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-06-28 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97949 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 101.690, 110.910, 112.360 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.845 - 2.400 |
| R-factor | 0.2178 |
| Rwork | 0.216 |
| R-free | 0.24580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4d2b |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.760 |
| Data reduction software | xia2 (0.3.6.3) |
| Data scaling software | xia2 (0.3.6.3) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1690) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.850 | 2.460 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.091 | 0.964 |
| Number of reflections | 25142 | |
| <I/σ(I)> | 12.4 | 1.8 |
| Completeness [%] | 99.8 | 99.4 |
| Redundancy | 5.2 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 293 | 17-22.5 %(V/V) PEG 400, 0.1 M HEPES PH 7.0 AND 0.15-0.48 M NH4H2PO4. CRYSTALS WERE GROWN BY THE LCP METHOD USING 9.7 MAG AS HOSTING LIPID. |
