1T75
Crystal structure of Escherichia coli beta carbonic anhydrase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-03-10 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9792 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 110.447, 110.447, 162.536 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 91.290 - 2.500 |
R-factor | 0.19841 |
Rwork | 0.196 |
R-free | 0.24569 |
Structure solution method | SAD |
RMSD bond length | 0.015 |
RMSD bond angle | 1.388 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.000 | 2.640 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.140 | 0.680 |
Number of reflections | 32980 | |
<I/σ(I)> | 18.6 | 2.44 |
Completeness [%] | 89.1 | 88 |
Redundancy | 15 | 11.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 298 | peg 3000, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |