8UOO
Structure of atypical asparaginase from Rhodospirillum rubrum
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 | 2022-01-14 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 72.184, 76.962, 57.815 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.960 - 1.650 |
R-factor | 0.18789 |
Rwork | 0.186 |
R-free | 0.22241 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.652 |
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 | 1.690 |
High resolution limit [Å] | 1.650 | 4.500 | 1.660 |
Rmerge | 0.098 | 0.055 | 0.986 |
Rmeas | 0.104 | 0.061 | 1.051 |
Rpim | 0.033 | 0.024 | 0.347 |
Number of reflections | 37670 | 1652 | 1784 |
<I/σ(I)> | 7.9 | ||
Completeness [%] | 95.2 | 76.7 | 92.9 |
Redundancy | 10 | 6.2 | 6.6 |
CC(1/2) | 0.996 | 0.993 | 0.719 |
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, pH 7 + 0.2 uL reservoir (0.2 M magnesium chloride, 0.1 M HEPES, pH 7.5, 30% v/v PEG400) |