4N59
The Crystal Structure of Pectocin M2 at 2.3 Angstroms
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-09-17 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.649, 116.745, 60.790 |
| Unit cell angles | 90.00, 94.96, 90.00 |
Refinement procedure
| Resolution | 44.520 - 2.300 |
| R-factor | 0.20964 |
| Rwork | 0.206 |
| R-free | 0.27369 |
| Structure solution method | SAD |
| Starting model (for MR) | 4n58 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.700 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.440 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.050 | 0.599 |
| Number of reflections | 52652 | |
| <I/σ(I)> | 12.41 | 1.85 |
| Completeness [%] | 96.6 | 95.7 |
| Redundancy | 3.2 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 15 % PEG3350, 0.2 M Ammonium sulphate, 3% MPD, 0.1M Bis-tris, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
