5I3Z
Erwinia chrysanthemi L-asparaginase E63Q mutation + Aspartic acid
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-10-17 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.008264 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 77.893, 87.885, 175.992 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.050 |
R-factor | 0.1757 |
Rwork | 0.174 |
R-free | 0.20930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1o7j |
RMSD bond length | 0.014 |
RMSD bond angle | 1.584 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 88.000 | 29.332 | 2.180 |
High resolution limit [Å] | 2.050 | 6.040 | 2.050 |
Rmerge | 0.115 | 0.033 | 0.485 |
Number of reflections | 74069 | ||
<I/σ(I)> | 16.88 | 40.08 | 4.08 |
Completeness [%] | 97.2 | 98.3 | 83.5 |
Redundancy | 5.9 | ||
CC(1/2) | 0.997 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 285 | 0.1M HEPES, pH 7.5 and 24% of PEG MME 2000 |