4MHN
Crystal structure of a glutaminyl cyclase from Ixodes scapularis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13C1 |
| Synchrotron site | NSRRC |
| Beamline | BL13C1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-10-16 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.278, 71.379, 80.076 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.150 |
| R-factor | 0.16261 |
| Rwork | 0.162 |
| R-free | 0.18132 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2afm |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.125 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.190 |
| High resolution limit [Å] | 1.150 | 1.150 |
| Rmerge | 0.056 | 0.797 |
| Number of reflections | 112442 | |
| <I/σ(I)> | 43.9 | 2.6 |
| Completeness [%] | 99.6 | 99.3 |
| Redundancy | 7.1 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 10% (w/v) PEG 8000, 8% (v/v) ethylene glycol, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
