6V2C
Complex of mutant (K162M) of E. coli L-asparaginase II with L-Asp. Covalent acyl-enzyme intermediate and tetrahedral intermediate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-03-12 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 73.698, 125.914, 130.108 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.690 - 2.000 |
R-factor | 0.173 |
Rwork | 0.171 |
R-free | 0.23500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3eca |
RMSD bond length | 0.019 |
RMSD bond angle | 2.234 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.000 | 40.000 | 2.030 |
High resolution limit [Å] | 2.000 | 5.420 | 2.000 |
Rmerge | 0.074 | 0.035 | 0.730 |
Rmeas | 0.081 | 0.038 | 0.852 |
Rpim | 0.033 | 0.015 | 0.427 |
Total number of observations | 423463 | ||
Number of reflections | 79835 | 4358 | 3810 |
<I/σ(I)> | 12.3 | ||
Completeness [%] | 97.3 | 99 | 94 |
Redundancy | 5.3 | 6.3 | 3.3 |
CC(1/2) | 0.998 | 0.615 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 0.1 M sodium acetate, pH 5, 5 mM L-Asp, and 18-20% (w/v) PEG3350 |