8WKJ
The crystal structure of aspartate aminotransferases Lpg0070 from Legionella pneumophila
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-05-19 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.978 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 105.425, 105.425, 165.471 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.920 - 1.700 |
Rwork | 0.155 |
R-free | 0.17170 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.426 |
Data reduction software | HKL-3000 (7.21) |
Data scaling software | HKL-3000 (7.21) |
Phasing software | PHASER (2.8.3) |
Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.760 |
High resolution limit [Å] | 1.700 | 3.660 | 1.700 |
Rmerge | 0.135 | 0.079 | 1.373 |
Rmeas | 0.138 | 0.081 | 1.411 |
Rpim | 0.028 | 0.017 | 0.311 |
Total number of observations | 1236043 | ||
Number of reflections | 51188 | 5451 | 4639 |
<I/σ(I)> | 6.2 | ||
Completeness [%] | 99.0 | 100 | 90.7 |
Redundancy | 24.1 | 23.7 | 19.2 |
CC(1/2) | 0.996 | 0.998 | 0.707 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.1 M Ammonium sulfate 0.05 M Magnesium sulfate heptahydrate 0.1 M Sodium citrate 5.5 22.5 % v/v PEG Smear Medium |