5JJ8
Crystal Structure of the Beta Carbonic Anhydrase psCA3 isolated from Pseudomonas aeruginosa - alternate crystal packing form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE F1 |
Synchrotron site | CHESS |
Beamline | F1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-03-25 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.9177 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 88.429, 69.362, 77.660 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.553 - 2.585 |
R-factor | 0.2148 |
Rwork | 0.212 |
R-free | 0.27510 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4rxy |
RMSD bond length | 0.009 |
RMSD bond angle | 1.243 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (dev_1839) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 35.553 |
High resolution limit [Å] | 2.585 |
Number of reflections | 14191 |
<I/σ(I)> | 17.3 |
Completeness [%] | 91.5 |
Redundancy | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 290 | Hampton Research Crystal Screen 2, PEG/Ion, PEG/Ion 2, an in-house sodium citrate screen (screening conditions varied from 1.1 to 1.8 M sodium citrate, Tris-HCl pH 7.1-8.1), and an in-house ammonium sulfate screen (screening conditions varied from 1.8 M to 2.8 M ammonium sulfate, 0.1 M malic acid, 0.1 M imidazole pH 7.0-8.5) prepared by the Rigaku Alchemist DT were used to screen for optimum crystallization conditions. |