4MHZ
Crystal structure of apo-form glutaminyl cyclase from Ixodes scapularis in complex with PBD150
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2012-10-04 |
| Detector | RIGAKU RAXIS HTC |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.259, 71.435, 80.246 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.950 |
| R-factor | 0.16936 |
| Rwork | 0.166 |
| R-free | 0.22133 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2afm |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.530 |
| 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] | 50.000 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.132 | 0.754 |
| Number of reflections | 21418 | |
| <I/σ(I)> | 9.5 | 1.7 |
| Completeness [%] | 89.9 | 90.4 |
| Redundancy | 3.9 | 3.9 |
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, 0.1 M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
