3PB9
Crystal structure of the catalytic domain of human Golgi-resident glutaminyl cyclase in complex with 1-benzylimidazole
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-02-09 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.562, 69.202, 77.402 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.120 |
| R-factor | 0.15122 |
| Rwork | 0.150 |
| R-free | 0.18123 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pb4 |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.268 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.160 |
| High resolution limit [Å] | 1.120 | 1.120 |
| Rmerge | 0.053 | 0.416 |
| Number of reflections | 107676 | |
| <I/σ(I)> | 35.2 | 2.2 |
| Completeness [%] | 96.9 | 91 |
| Redundancy | 5.3 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 30%(v/v) PEG 200, 5%(w/v) PEG 3000, 0.1M Mes, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
