3PB8
Crystal structure of the catalytic domain of human Golgi-resident glutaminyl cyclase in complex with N-acetylhistamine
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 | 53.301, 68.580, 77.439 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.130 |
| R-factor | 0.13252 |
| Rwork | 0.131 |
| R-free | 0.16107 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pb4 |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.156 |
| 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 | 1.170 |
| High resolution limit [Å] | 1.130 | 1.130 |
| Rmerge | 0.063 | 0.292 |
| Number of reflections | 105259 | |
| <I/σ(I)> | 62.1 | 4.4 |
| Completeness [%] | 98.7 | 92.2 |
| Redundancy | 13.1 | 7.4 |
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 |
