3PBB
Crystal structure of human secretory glutaminyl cyclase in complex with PBD150
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 | 2008-10-12 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | H 3 |
Unit cell lengths | 155.753, 155.753, 80.516 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 1.950 |
R-factor | 0.18397 |
Rwork | 0.181 |
R-free | 0.23892 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2afm |
RMSD bond length | 0.021 |
RMSD bond angle | 1.863 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.020 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.075 | 0.492 |
Number of reflections | 53126 | |
<I/σ(I)> | 17.6 | 2.3 |
Completeness [%] | 99.1 | 95.1 |
Redundancy | 3.2 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 1.7M (NH4)2SO4, 4%(v/v) dioxane, 100mM Mes, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |