8GPM
Acinetobacter baumannii carbonic anhydrase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-11-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 108.698, 108.698, 108.698 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.370 - 1.700 |
| R-factor | 0.1548 |
| Rwork | 0.152 |
| R-free | 0.18220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1v3w |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.370 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.101 | |
| Number of reflections | 23637 | 2337 |
| <I/σ(I)> | 28.49 | |
| Completeness [%] | 99.9 | |
| Redundancy | 38.7 | |
| CC(1/2) | 1.000 | 0.832 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M bis-tris pH=6.5, 45% v/v polypropylene glycol P400 |
