7ETG
Crystal structure of AbHpaI-Co-pyruvate-succinic semialdehyde 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 | 2017-05-23 |
Detector | BRUKER PHOTON 100 |
Wavelength(s) | 1.54 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 147.750, 89.691, 86.299 |
Unit cell angles | 90.00, 122.49, 90.00 |
Refinement procedure
Resolution | 19.350 - 1.900 |
R-factor | 0.1934 |
Rwork | 0.190 |
R-free | 0.22200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7et8 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.592 |
Data reduction software | PROTEUM PLUS |
Data scaling software | Aimless (0.5.21) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 21.130 | 19.350 | 1.940 |
High resolution limit [Å] | 1.900 | 9.310 | 1.900 |
Rmerge | 0.088 | 0.040 | 0.544 |
Rmeas | 0.093 | 0.041 | 0.635 |
Rpim | 0.029 | 0.011 | 0.321 |
Total number of observations | 7379 | 15925 | |
Number of reflections | 74644 | 574 | 4561 |
<I/σ(I)> | 15.2 | 45.3 | 2.4 |
Completeness [%] | 99.8 | 85 | 98.9 |
Redundancy | 9.1 | 12.9 | 3.5 |
CC(1/2) | 0.998 | 0.999 | 0.894 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 4.6 | 288 | CaCl2, MPD, Na acetate |