5MUA
PSL1a-E64 complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-02-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.8726 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 75.671, 94.331, 102.764 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.870 - 1.490 |
| R-factor | 0.22249 |
| Rwork | 0.221 |
| R-free | 0.24759 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3phz |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.899 |
| Data reduction software | XDS (VERSION January 10, 2014) |
| Data scaling software | XDS (VERSION January 10, 2014) |
| Phasing software | PHASER (2.5.1) |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.160 | 1.580 |
| High resolution limit [Å] | 1.490 | 1.500 |
| Rmerge | 0.191 | 1.720 |
| Number of reflections | 118898 | |
| <I/σ(I)> | 5.8 | 0.6 |
| Completeness [%] | 98.7 | 96.7 |
| Redundancy | 4.1 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293.15 | 0.1 M citrate pH 5.6, 0.2 NaSCN and 40% PEG 3350 |
