7R57
Escherichia coli type II Asparaginase N24S mutant in its apo form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-05-07 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.07252 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 152.139, 62.440, 143.409 |
Unit cell angles | 90.00, 118.19, 90.00 |
Refinement procedure
Resolution | 47.090 - 1.400 |
R-factor | 0.1652 |
Rwork | 0.165 |
R-free | 0.18450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3eca |
RMSD bond length | 0.008 |
RMSD bond angle | 0.983 |
Data scaling software | Aimless (0.5.31) |
Phasing software | PHASER (2.7.16) |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.200 | 48.200 | 1.390 |
High resolution limit [Å] | 1.340 | 5.190 | 1.340 |
Rmerge | 0.047 | 0.031 | 1.023 |
Rmeas | 0.058 | 0.038 | 1.263 |
Rpim | 0.033 | 0.022 | 0.731 |
Total number of observations | 724964 | 13044 | 67722 |
Number of reflections | 261282 | 4627 | 25496 |
<I/σ(I)> | 10.1 | 32.8 | 0.9 |
Completeness [%] | 98.5 | 97.3 | 98.1 |
Redundancy | 2.8 | 2.8 | 2.7 |
CC(1/2) | 0.998 | 0.997 | 0.388 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 294 | HEPES (4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid) 100 mM pH 8.0, PEG 8000 5%, ETHYLENE GLYCOL 4% |