6PA9
E. coli L-asparaginase II mutant (T12V) in complex with L-Asn at pH 7.0
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-10 |
Detector | DECTRIS EIGER R 4M |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 61.066, 68.912, 130.969 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 1.880 |
R-factor | 0.1647 |
Rwork | 0.162 |
R-free | 0.21570 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.021 |
RMSD bond angle | 2.001 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.000 | 40.000 | 1.910 |
High resolution limit [Å] | 1.880 | 5.100 | 1.880 |
Rmerge | 0.044 | 0.017 | 0.614 |
Rmeas | 0.049 | 0.019 | 0.702 |
Rpim | 0.020 | 0.007 | 0.333 |
Total number of observations | 240226 | ||
Number of reflections | 42994 | 2448 | 1514 |
<I/σ(I)> | 14.1 | ||
Completeness [%] | 94.0 | 98.4 | 67.1 |
Redundancy | 5.6 | 6.2 | 3.8 |
CC(1/2) | 1.000 | 0.791 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | Crystals were grown in 0.17 M NH4-citrate, pH 7.0, 17-18% PEG3350, 5 mM L-Asn |