3N9R
Class II fructose-1,6-bisphosphate aldolase from helicobacter pylori in complex with N-(4-hydroxybutyl)-phosphoglycolohydroxamic acid, 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 | 2009-04-20 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0809 |
Spacegroup name | P 1 |
Unit cell lengths | 51.400, 104.400, 111.900 |
Unit cell angles | 98.50, 90.00, 90.00 |
Refinement procedure
Resolution | 41.529 - 1.800 |
R-factor | 0.162 |
Rwork | 0.158 |
R-free | 0.20300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3c52 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.983 |
Data scaling software | SCALA (3.3.15) |
Refinement software | PHENIX (dev_378) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.631 | 46.630 | 1.900 |
High resolution limit [Å] | 1.798 | 5.690 | 1.800 |
Rmerge | 0.063 | 0.300 | |
Total number of observations | 18898 | 88149 | |
Number of reflections | 205157 | ||
<I/σ(I)> | 7 | 7.2 | 2.3 |
Completeness [%] | 96.0 | 94.6 | 94.4 |
Redundancy | 3 | 3 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | hanging drop | 8.5 | 298 | 12% PEG 1000, 12% PEG 8000, 0.2 M Calcium Acetate,50 mM Tris/HOAc, pH 8.5, hanging drop, temperature 298K |