6WNG
Crystal structure of an aspartate ammonia-lyase from Elizabethkingia anophelis NUHP1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2020-02-20 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 0.97872 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 92.820, 96.850, 212.200 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.060 - 1.550 |
R-factor | 0.134 |
Rwork | 0.134 |
R-free | 0.15270 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3oce |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.060 | 46.060 | 1.590 |
High resolution limit [Å] | 1.550 | 6.930 | 1.550 |
Rmerge | 0.077 | 0.033 | 0.499 |
Rmeas | 0.085 | 0.036 | 0.548 |
Total number of observations | 1667799 | ||
Number of reflections | 275981 | 3324 | 20249 |
<I/σ(I)> | 14.36 | 30.79 | 3.53 |
Completeness [%] | 99.9 | 98.1 | 100 |
Redundancy | 6.043 | 5.788 | 5.988 |
CC(1/2) | 0.998 | 0.998 | 0.890 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 287 | ElanA.00047.a.B1.PW38143 at 13.07 mg/mL with 2.5 mM aspartic acid against JCSG+ screen condition D1 25% PEG 1500, 20% glycerol, unique puck ID aue0-7, crystal tracking ID 314597d1 |