4XIX
Carbonic anhydrase Cah3 from Chlamydomonas reinhardtii in complex with phosphate.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-02-12 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.984 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 138.957, 138.957, 202.807 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.452 - 2.700 |
| R-factor | 0.1601 |
| Rwork | 0.156 |
| R-free | 0.23040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xiw |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.560 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.500 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.150 | 0.841 |
| Number of reflections | 62714 | |
| <I/σ(I)> | 10.3 | 2.4 |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 8.4 | 8.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.1 | 291 | The protein solution (3.6 mg/mL) was mixed 1:1 with the reservoir that contained 2.5 M NH4H2PO4, 0.1 M Tris-HCl, pH 8.0. The final pH of the drop was 4.1. |
