5CPO
Crystal structure of XenA from Pseudomonas putida in complex with an NADH mimic (mBu)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-12-17 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.975 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 57.110, 84.140, 156.930 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 57.380 - 1.650 |
| R-factor | 0.1583 |
| Rwork | 0.157 |
| R-free | 0.18670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2h90 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.243 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_1977) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.380 | 1.709 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.110 | 1.618 |
| Number of reflections | 91730 | |
| <I/σ(I)> | 12.48 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.2 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 294 | 0.2 M calcium acetate, 0.1 M sodium cacodylate buffer pH 6.5, 40% v/v PEG 300 (JCSG+ HT96 A10 Molecular Dimensions). |
