5U5N
The dimeric crystal structure of HTPA Reductase from Sellaginella moellendorffii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2016-06-04 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.358, 61.746, 151.408 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 61.750 - 2.100 |
| R-factor | 0.2274 |
| Rwork | 0.225 |
| R-free | 0.27790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5u5i |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.683 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless (0.5.15) |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 61.750 | 61.750 | 2.160 |
| High resolution limit [Å] | 2.100 | 8.910 | 2.100 |
| Rmerge | 0.215 | 0.054 | 2.078 |
| Rmeas | 0.221 | 0.055 | 2.164 |
| Rpim | 0.051 | 0.013 | 0.594 |
| Total number of observations | 595927 | 8462 | 33743 |
| Number of reflections | 32251 | ||
| <I/σ(I)> | 11.7 | 35.8 | 1.4 |
| Completeness [%] | 100.0 | 99.9 | 99.6 |
| Redundancy | 18.5 | 16.6 | 13.1 |
| CC(1/2) | 0.998 | 0.999 | 0.496 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 296 | 0.2 M MgCl2, 25% PEG 3350, 0.1 M BTP pH 5.5 |
