7ETE
Crystal structure of AbHpaI-Mg-(4R)-KDGal 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 | 2020-08-07 |
Detector | BRUKER PHOTON 100 |
Wavelength(s) | 1.54 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 147.565, 90.353, 86.518 |
Unit cell angles | 90.00, 122.23, 90.00 |
Refinement procedure
Resolution | 24.400 - 1.900 |
R-factor | 0.1696 |
Rwork | 0.168 |
R-free | 0.19710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7et8 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.756 |
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] | 24.410 | 24.400 | 1.830 |
High resolution limit [Å] | 1.800 | 9.680 | 1.800 |
Rmerge | 0.121 | 0.036 | 1.033 |
Rmeas | 0.131 | 0.038 | 1.181 |
Rpim | 0.050 | 0.012 | 0.565 |
Total number of observations | 4198 | 18339 | |
Number of reflections | 89082 | 481 | 4417 |
<I/σ(I)> | 11 | 39.8 | 1.6 |
Completeness [%] | 99.7 | 80.2 | 97.7 |
Redundancy | 6.7 | 8.7 | 4.2 |
CC(1/2) | 0.995 | 0.998 | 0.562 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 4.6 | 277 | CaCl2, MPD, Na acetate |