8IQ8
Crystal structure of 3,4-dihydroxyphenylacetate 2,3-dioxygenase (DHPAO) from Acinetobacter baumannii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER TURBO X-RAY SOURCE |
| Temperature [K] | 100 |
| Detector technology | CMOS |
| Collection date | 2017-08-04 |
| Detector | BRUKER PHOTON 100 |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 93.433, 62.840, 135.952 |
| Unit cell angles | 90.00, 90.09, 90.00 |
Refinement procedure
| Resolution | 21.040 - 1.800 |
| R-factor | 0.22805 |
| Rwork | 0.225 |
| R-free | 0.25463 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.487 |
| Data reduction software | PROTEUM PLUS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 21.030 | 1.810 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Rmerge | 0.097 | 0.169 |
| Rmeas | 0.109 | 0.226 |
| Rpim | 0.047 | 0.149 |
| Total number of observations | 667103 | 9963 |
| Number of reflections | 147453 | 5851 |
| <I/σ(I)> | 11.4 | 5 |
| Completeness [%] | 97.7 | |
| Redundancy | 4.5 | 1.7 |
| CC(1/2) | 0.993 | 0.920 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 4 | 298 | 0.1 M PCB buffer pH4 and 25% w/v PEG1500 (Hampton Research kit) |
