4O4T
MURINE NEUROGLOBIN UNDER XENON PRESSURE 30 bar
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM16 |
| Synchrotron site | ESRF |
| Beamline | BM16 |
| Temperature [K] | 291 |
| Detector technology | CCD |
| Collection date | 2010-11-17 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.920 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 89.118, 89.118, 114.883 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| R-factor | 0.17314 |
| Rwork | 0.171 |
| R-free | 0.21678 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gkt |
| RMSD bond length | 0.013 |
| RMSD bond angle | 3.069 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 13763 | |
| <I/σ(I)> | 35.3 | 4 |
| Completeness [%] | 98.1 | 98 |
| Redundancy | 6.9 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 1.6M ammonium sulphate, 0.1M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
