7A0U
LIGAND FREE TYPE II E. COLI ASPARAGINASE T12S/T89S DOUBLE MUTANT
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2016-06-26 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.899998 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 150.850, 61.860, 142.420 |
Unit cell angles | 90.00, 117.94, 90.00 |
Refinement procedure
Resolution | 125.825 - 2.260 |
R-factor | 0.17478859218 |
Rwork | 0.171 |
R-free | 0.23989 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3eca 1nns |
RMSD bond length | 0.013 |
RMSD bond angle | 1.145 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 125.830 | 125.830 | 2.320 |
High resolution limit [Å] | 2.260 | 10.110 | 2.260 |
Rmerge | 0.138 | 0.076 | 0.415 |
Rmeas | 0.170 | 0.095 | 0.508 |
Total number of observations | 151671 | ||
Number of reflections | 53012 | 612 | 3977 |
<I/σ(I)> | 5.64 | 11.11 | 2.35 |
Completeness [%] | 96.8 | 91.3 | 98.9 |
Redundancy | 2.861 | 2.768 | 2.906 |
CC(1/2) | 0.981 | 0.989 | 0.686 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 290.15 | 0.1 M HEPES, 10% PEG 8000, 8% ETHYLENE GLYCOL, PH 7.5 |