7ET9
Crystal structure of AbHpaI-Zn-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 | 2017-07-07 |
Detector | BRUKER PHOTON 100 |
Wavelength(s) | 1.54 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 147.919, 89.669, 86.491 |
Unit cell angles | 90.00, 122.74, 90.00 |
Refinement procedure
Resolution | 20.880 - 1.900 |
R-factor | 0.1569 |
Rwork | 0.155 |
R-free | 0.18480 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7et8 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.561 |
Data reduction software | PROTEUM PLUS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 21.090 | 21.090 | 1.770 |
High resolution limit [Å] | 1.740 | 9.220 | 1.740 |
Rmerge | 0.077 | 0.036 | 0.575 |
Rmeas | 0.083 | 0.039 | 0.748 |
Rpim | 0.031 | 0.015 | 0.471 |
Total number of observations | 550140 | 3329 | 2072 |
Number of reflections | 85669 | 543 | 1436 |
<I/σ(I)> | 15.9 | 40.9 | 2 |
Completeness [%] | 88.4 | 78.1 | 28.2 |
Redundancy | 6.4 | 6.1 | 1.4 |
CC(1/2) | 0.998 | 0.999 | 0.494 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 4.6 | 288 | CaCl2, MPD, Na acetate |