26TC
Crystal structure of 4-Amino-4-deoxychorismate lyase from Micromonospora aurantiaca ATCC 27029 in its holo form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2026-02-25 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.54184 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 84.936, 88.524, 70.182 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.680 - 2.000 |
| R-factor | 0.21778 |
| Rwork | 0.215 |
| R-free | 0.27985 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.941 |
| Data reduction software | CrysalisPro |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.680 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.464 | 1.186 |
| Rmeas | 0.504 | 1.284 |
| Rpim | 0.192 | 0.483 |
| Total number of observations | 126637 | 9226 |
| Number of reflections | 18157 | 1287 |
| <I/σ(I)> | 3.7 | 1.8 |
| Completeness [%] | 99.6 | |
| Redundancy | 7 | 7.2 |
| CC(1/2) | 0.940 | 0.557 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 288 | 100 mM HEPES buffer, pH 7.0, 10 mM MgCl2, 5 mM NiCl2, 20% (v/v) PEG3350 |
