1L2K
Neutron Structure Determination of Sperm Whale Met-Myoglobin at 1.5A Resolution.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | NUCLEAR REACTOR |
Source details | JRR-3M, GUIDE 1G-A, BIX-3 |
Beamline | BIX-3 (1G-A BEAM PORT) |
Temperature [K] | 298 |
Detector technology | NEUTRON IMAGE PLATE |
Collection date | 2000-02-05 |
Detector | MACSCIENCE |
Wavelength(s) | 2.35 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 64.530, 30.870, 34.870 |
Unit cell angles | 90.00, 105.70, 90.00 |
Refinement procedure
Resolution | 22.000 * - 1.500 |
Rwork | 0.201 |
R-free | 0.24700 * |
Starting model (for MR) | X-RAY STRUCTURE |
RMSD bond length | 0.007 * |
RMSD bond angle | 1.200 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 22.000 * | 1.550 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.103 | 0.249 |
Total number of observations | 55899 * | |
Number of reflections | 19135 | 1458 * |
<I/σ(I)> | 6.3 | 2.7 |
Completeness [%] | 87.9 | 67 |
Redundancy | 2.9 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | unknown * | 6.8 | 298 | AMMONIUM SULFATE, POTASSIUM PHOSPHATE, pH 6.8, BATCH CRYSTALLIZATION, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | 1 | 50 (mM) | ||
2 | 1 | 1 | ammonium sulfate | 2.9 (M) | pH6.8 |