4NU5
Crystal Structure of PTDH R301A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-04-17 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 1.0084 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 116.486, 80.456, 81.966 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.000 - 2.350 |
| R-factor | 0.1868 |
| Rwork | 0.184 |
| R-free | 0.23020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.305 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.430 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Number of reflections | 30556 | |
| <I/σ(I)> | 2.9 | |
| Completeness [%] | 93.0 | 72.7 |
| Redundancy | 6.4 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 288 | 0.1 M Ammonium Acetate, 17% PEG 10,000, 0.1 M Bis-Tris, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 288K |
