4AFX
Crystal structure of the reactive loop cleaved ZPI in I2 space group
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 78.850, 106.660, 81.163 |
| Unit cell angles | 90.00, 112.58, 90.00 |
Refinement procedure
| Resolution | 66.520 - 2.090 |
| R-factor | 0.21151 |
| Rwork | 0.210 |
| R-free | 0.24882 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7api |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.541 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.390 | 2.200 |
| High resolution limit [Å] | 2.090 | 2.090 |
| Rmerge | 0.080 | 0.470 |
| Number of reflections | 31054 | |
| <I/σ(I)> | 6.9 | 1.8 |
| Completeness [%] | 84.3 | 87 |
| Redundancy | 87 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5 | 1.8M NAK PHOSPHATE, PH5 |
