4MHP
Crystal structure of apo-form of 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 | 55.388, 71.146, 80.121 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.100 |
R-factor | 0.16561 |
Rwork | 0.165 |
R-free | 0.18614 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2afm |
RMSD bond length | 0.005 |
RMSD bond angle | 1.131 |
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 | 1.140 |
High resolution limit [Å] | 1.100 | 1.100 |
Rmerge | 0.054 | 0.777 |
Number of reflections | 128122 | |
<I/σ(I)> | 38.8 | 2.8 |
Completeness [%] | 99.5 | 100 |
Redundancy | 5.9 | 5.7 |
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 |