8UP6
Structure of atypical asparaginase from Rhodospirillum rubrum (mutant K19A) 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 | 2022-03-20 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 72.045, 77.327, 115.025 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.890 - 1.700 |
R-factor | 0.182 |
Rwork | 0.181 |
R-free | 0.20500 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.776 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.000 | 40.000 | 1.730 |
High resolution limit [Å] | 1.700 | 4.610 | 1.700 |
Rmerge | 0.068 | 0.034 | 0.753 |
Rmeas | 0.071 | 0.036 | 0.786 |
Rpim | 0.020 | 0.011 | 0.222 |
Total number of observations | 917685 | ||
Number of reflections | 71088 | 3754 | 3496 |
<I/σ(I)> | 9.2 | ||
Completeness [%] | 99.6 | 97.9 | 99.8 |
Redundancy | 12.9 | 11.3 | 11.9 |
CC(1/2) | 1.000 | 0.998 | 0.947 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 uL 18 mg/mL protein in 50 mM HEPES, 150 mM sodium chloride, 20 mM L-Asp + 0.2 uL reservoir (Molecular Dimensions Morpheus F9 + 20 mM L-Asp, pH 8.5) |