7ETD
Crystal structure of AbHpaI-Zn-(4S)-KDGlu complex, Class II aldolase, HpaI 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 | 2020-08-05 |
| Detector | BRUKER PHOTON 100 |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 147.229, 90.525, 86.412 |
| Unit cell angles | 90.00, 122.01, 90.00 |
Refinement procedure
| Resolution | 23.580 - 1.900 |
| R-factor | 0.1661 |
| Rwork | 0.165 |
| R-free | 0.18720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7et8 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.388 |
| Data reduction software | PROTEUM PLUS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 24.430 | 24.430 | 1.710 |
| High resolution limit [Å] | 1.680 | 9.190 | 1.680 |
| Rmerge | 0.135 | 0.041 | 1.125 |
| Rmeas | 0.147 | 0.044 | 1.285 |
| Rpim | 0.056 | 0.014 | 0.608 |
| Total number of observations | 702036 | 4921 | 21687 |
| Number of reflections | 75151 | 581 | 5313 |
| <I/σ(I)> | 9.5 | 33.8 | 1.4 |
| Completeness [%] | 99.7 | 83.3 | 97.9 |
| Redundancy | 6.4 | 8.5 | 4.1 |
| CC(1/2) | 0.994 | 0.999 | 0.639 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 4.6 | 277 | CaCl2, MPD, Na acetate |
