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 |