3ZR4
STRUCTURAL EVIDENCE FOR AMMONIA TUNNELING ACROSS THE (BETA-ALPHA)8 BARREL OF THE IMIDAZOLE GLYCEROL PHOSPHATE SYNTHASE BIENZYME COMPLEX
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X13 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Spacegroup name | P 32 |
| Unit cell lengths | 85.399, 85.399, 171.109 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 55.960 - 2.410 |
| R-factor | 0.19897 |
| Rwork | 0.194 |
| R-free | 0.25771 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gpw |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.457 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.950 | 2.500 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.050 | 0.340 |
| Number of reflections | 51685 | |
| <I/σ(I)> | 16.8 | 2.6 |
| Completeness [%] | 95.5 | 88.9 |
| Redundancy | 2.4 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
