8ECD
E. coli L-asparaginase II mutant (V27T) in complex with L-Asp
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-09-25 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 151.559, 62.781, 141.052 |
Unit cell angles | 90.00, 117.62, 90.00 |
Refinement procedure
Resolution | 39.220 - 1.620 |
R-factor | 0.1274 |
Rwork | 0.127 |
R-free | 0.16430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3eca |
RMSD bond length | 0.020 |
RMSD bond angle | 2.087 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.650 |
High resolution limit [Å] | 1.620 | 1.620 |
Rmerge | 0.076 | 0.562 |
Rmeas | 0.086 | 0.659 |
Rpim | 0.040 | 0.334 |
Number of reflections | 145830 | 6727 |
<I/σ(I)> | 18.12 | 2.04 |
Completeness [%] | 97.9 | 90.9 |
Redundancy | 4.4 | 3.4 |
CC(1/2) | 0.994 | 0.710 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.2 M Ammonium citrate tribasic pH 7.0, 19% w/v Polyethylene glycol 3,350 |