6GJH
Human Hsp27 (HspB1) alpha-crystallin domain in complex with a peptide mimic of its phosphorylatable N-terminal region
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 | 2017-03-13 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9282 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.810, 157.670, 57.870 |
| Unit cell angles | 90.00, 95.45, 90.00 |
Refinement procedure
| Resolution | 57.608 - 2.100 |
| R-factor | 0.2127 |
| Rwork | 0.211 |
| R-free | 0.25140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4mjh |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.524 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.5.15) |
| Phasing software | PHASER (2.7.17) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 78.840 | 78.840 | 2.160 |
| High resolution limit [Å] | 2.100 | 9.150 | 2.100 |
| Rmerge | 0.118 | 0.053 | 0.810 |
| Rmeas | 0.144 | 0.063 | 0.990 |
| Rpim | 0.081 | 0.033 | 0.560 |
| Total number of observations | 165497 | 2515 | 12831 |
| Number of reflections | 57271 | 753 | 4356 |
| <I/σ(I)> | 5.1 | 13.3 | 1.4 |
| Completeness [%] | 97.3 | 99.9 | 95.8 |
| Redundancy | 2.9 | 3.3 | 2.9 |
| CC(1/2) | 0.990 | 0.994 | 0.528 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 22% PEG 3350; 0.02 M sodium potassium diphosphate; 0.1 M Bis-Tris propane pH 7.5 |
