4A1Z
Eg5-1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 298 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.484, 78.390, 93.265 |
| Unit cell angles | 90.00, 93.47, 90.00 |
Refinement procedure
| Resolution | 29.232 - 2.800 |
| R-factor | 0.1776 |
| Rwork | 0.173 |
| R-free | 0.25740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ii6 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.535 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.140 | 0.500 |
| Number of reflections | 18414 | |
| <I/σ(I)> | 12.7 | 4.6 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 3.3 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.8 | 14% PEG 3350 0.2 M NA NO3 0.1 M MES (PH 5.6). |
