3QY1
1.54A Resolution Crystal Structure of a Beta-Carbonic Anhydrase from Salmonella enterica subsp. enterica serovar Typhimurium str. LT2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-12-10 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9787 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 115.252, 48.223, 80.072 |
| Unit cell angles | 90.00, 113.45, 90.00 |
Refinement procedure
| Resolution | 22.550 - 1.540 |
| R-factor | 0.1572 |
| Rwork | 0.156 |
| R-free | 0.17180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1t75 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.950 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MrBUMP |
| Refinement software | BUSTER (2.8.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.880 | 1.580 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Rmerge | 0.080 | 0.625 |
| Number of reflections | 59389 | |
| <I/σ(I)> | 10.8 | 2.4 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 5 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 30%PEG 4K,0.2M NH4 Acetate, 0.1Na Citrate, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
