3E7U
X-ray Crystal Structure of L-Plectasin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-11-19 |
| Detector | MARMOSAIC 300 mm CCD |
| Spacegroup name | P 61 |
| Unit cell lengths | 53.919, 53.919, 21.964 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 23.350 - 1.350 |
| R-factor | 0.158 |
| Rwork | 0.157 |
| R-free | 0.18200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3e7r |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.737 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.400 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.076 | 0.428 |
| Number of reflections | 15193 | |
| <I/σ(I)> | 23.3 | 5.2 |
| Completeness [%] | 99.1 | 97 |
| Redundancy | 8.7 | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 292 | 0.1 M HEPES, 0.2 M ammonium acetate, 21% PEG 3350., pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
