4IK0
Crystal structure of diaminopimelate epimerase Y268A mutant from Escherichia coli
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2011-04-21 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9795 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 89.180, 89.180, 179.450 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.677 - 2.050 |
R-factor | 0.178 |
Rwork | 0.176 |
R-free | 0.21660 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.652 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.9) |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.677 | 49.677 | 2.160 |
High resolution limit [Å] | 2.050 | 6.480 | 2.050 |
Rmerge | 0.053 | 0.577 | |
Rmeas | 0.059 | 0.628 | |
Rpim | 0.024 | 0.246 | |
Total number of observations | 9639 | 42700 | |
Number of reflections | 46324 | ||
<I/σ(I)> | 10.4 | 20.5 | 3.2 |
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 6.3 | 5.8 | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.2M Sodium iodide, 18% PEG 3350, 0.1M Bis-Tris propane, 5mM diaminopimelic acid, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |