7ETA
Crystal structure of AbHpaI-Co-pyruvate 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 | 2017-05-05 |
Detector | BRUKER PHOTON 100 |
Wavelength(s) | 1.54 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 147.359, 90.323, 86.440 |
Unit cell angles | 90.00, 122.09, 90.00 |
Refinement procedure
Resolution | 29.310 - 1.900 |
R-factor | 0.1591 |
Rwork | 0.157 |
R-free | 0.18340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7et8 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.531 |
Data reduction software | PROTEUM PLUS |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 1.970 |
High resolution limit [Å] | 1.850 | 4.090 | 1.900 |
Rmerge | 0.070 | 0.041 | 0.260 |
Rmeas | 0.074 | 0.043 | 0.297 |
Rpim | 0.024 | 0.014 | 0.140 |
Number of reflections | 75599 | 7694 | 7426 |
<I/σ(I)> | 9.9 | ||
Completeness [%] | 99.8 | 99.9 | 97.7 |
Redundancy | 8.6 | 9.8 | 4.2 |
CC(1/2) | 0.999 | 0.908 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 4.6 | 288 | CaCl2, MPD, Na acetate |