4NXA
SPERM WHALE MYOGLOBIN UNDER XENON PRESSURE 30 Bar
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM16 |
| Synchrotron site | ESRF |
| Beamline | BM16 |
| Detector technology | CCD |
| Collection date | 2010-11-19 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.920 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 35.370, 30.717, 63.583 |
| Unit cell angles | 90.00, 104.48, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.600 |
| R-factor | 0.18618 |
| Rwork | 0.185 |
| R-free | 0.20164 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2jho |
| RMSD bond length | 0.011 |
| RMSD bond angle | 3.129 |
| 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] | 1.630 | |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 16770 | |
| <I/σ(I)> | 5.1 | 33.5 |
| Completeness [%] | 94.9 | 86.2 |
| Redundancy | 3.7 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH | 7 | 300 | 50mM potassium phosphate, saturated ammonnium sulphate., pH 7, BATCH, temperature 300K |
