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 |