6GBX
Crystal structure of human glutaminyl cyclase variant Y115E-Y117E in complex with SEN177
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 | 2013-09-28 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 86.140, 149.810, 95.980 |
| Unit cell angles | 90.00, 97.18, 90.00 |
Refinement procedure
| Resolution | 95.230 - 1.720 |
| R-factor | 0.15948 |
| Rwork | 0.158 |
| R-free | 0.18307 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4yu9 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.617 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 95.230 | 1.750 |
| High resolution limit [Å] | 1.720 | 1.720 |
| Rmeas | 0.130 | 0.750 |
| Number of reflections | 126884 | 6232 |
| <I/σ(I)> | 5.3 | 1.7 |
| Completeness [%] | 99.8 | 99.4 |
| Redundancy | 3.4 | 2.9 |
| CC(1/2) | 0.985 | 0.567 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277.15 | 0.1 M MES, 0.4 M ammonium sulfate, 0.07 M sodium chloride |
