4YGF
Crystal structure of the complex of Helicobacter pylori alpha-Carbonic Anhydrase with acetazolamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-12-09 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.92 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 41.780, 133.610, 166.540 |
Unit cell angles | 90.00, 90.16, 90.00 |
Refinement procedure
Resolution | 32.568 - 2.000 |
R-factor | 0.1908 |
Rwork | 0.187 |
R-free | 0.21490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4g7a |
RMSD bond length | 0.010 |
RMSD bond angle | 1.424 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 166.539 | 32.568 | 2.110 |
High resolution limit [Å] | 2.000 | 6.320 | 2.000 |
Rmerge | 0.056 | 0.247 | |
Rmeas | 0.113 | ||
Rpim | 0.059 | 0.036 | 0.155 |
Total number of observations | 12321 | 52686 | |
Number of reflections | 119874 | ||
<I/σ(I)> | 7.7 | 12.7 | 3.6 |
Completeness [%] | 97.6 | 92.8 | 92.6 |
Redundancy | 3.4 | 3.3 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 24% (w/v) PEG 1.5K, 200 mM di-basic ammonium citrate, 2 mM zinc chloride |