3C56
Class II fructose-1,6-bisphosphate aldolase from helicobacter pylori in complex with N-(3-Hydroxypropyl)-glycolohydroxamic acid bisphosphate, a competitive inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-08-23 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 1.1 |
Spacegroup name | P 1 |
Unit cell lengths | 39.222, 62.005, 65.615 |
Unit cell angles | 82.90, 79.77, 71.03 |
Refinement procedure
Resolution | 30.000 - 2.300 |
Rwork | 0.172 |
R-free | 0.20750 |
Starting model (for MR) | free enzyme structure |
RMSD bond length | 0.005 |
RMSD bond angle | 0.618 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX (AutoMR) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.060 |
High resolution limit [Å] | 1.990 | 1.990 |
Number of reflections | 28829 | |
<I/σ(I)> | 8.75 | |
Completeness [%] | 0.7 | 28.8 |
Redundancy | 1.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 297 | 12% PEG 1000, 12% PEG 8000, 0.2 M Calcium Acetate,50 mM Tris/HOAc, VAPOR DIFFUSION, HANGING DROP, temperature 297K |