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 |