4NAM
1.7A structure of 5-Fluoro Tryptophan Labeled Protective Antigen (W206Y)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-04-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 71.298, 93.954, 117.727 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.977 - 1.700 |
| R-factor | 0.1809 |
| Rwork | 0.179 |
| R-free | 0.20850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3mhz |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.108 |
| Data reduction software | XDS |
| Data scaling software | SCALA (0.1.29) |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_1356) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 73.435 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.066 | 0.717 |
| Number of reflections | 86339 | |
| <I/σ(I)> | 12.4 | 1.8 |
| Completeness [%] | 98.8 | 99.9 |
| Redundancy | 4 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 293 | 35% (v/v) Pentaerythritol propoxylate (5/4 PO/OH), 0.05 M HEPES, 0.2 M Potassium chloride, pH 7.5, vapor diffusion, temperature 293K |
