2X5R
Crystal Structure of the hypothetical protein ORF126 from Pyrobaculum spherical virus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-09-13 |
| Detector | MARRESEARCH |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 39.041, 39.041, 143.733 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.630 - 2.000 |
| R-factor | 0.20714 |
| Rwork | 0.205 |
| R-free | 0.24553 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.129 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELXCDE (SOLVE RESOLVE) |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.070 | 0.420 |
| Number of reflections | 8611 | |
| <I/σ(I)> | 11.2 | 3 |
| Completeness [%] | 97.3 | 95 |
| Redundancy | 3.8 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 11% PEGMME 550, 0.04M ZN SULPHATE AND 0.1M TRIS HCL PH8. CRYSTAL WAS CRYOPROTECTED IN 12% PEGMME 550, 0.01M ZN SULPHATE AND 0.1M TRIS HCL PH8 AND 25% PEG400 SOLUTION |
