4C5E
Crystal structure of the minimal Pho-Sfmbt complex (P21 spacegroup)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-06-16 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 87.510, 147.880, 97.880 |
| Unit cell angles | 90.00, 112.26, 90.00 |
Refinement procedure
| Resolution | 48.601 - 1.951 |
| R-factor | 0.1795 |
| Rwork | 0.179 |
| R-free | 0.19760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3h6z |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.772 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.600 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.080 | 0.850 |
| Number of reflections | 166463 | |
| <I/σ(I)> | 11.4 | 1.8 |
| Completeness [%] | 99.6 | 98.4 |
| Redundancy | 3.9 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
