1CQ2
NEUTRON STRUCTURE OF FULLY DEUTERATED SPERM WHALE MYOGLOBIN AT 2.0 ANGSTROM
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | NUCLEAR REACTOR |
| Source details | HIGH FLUX BEAM REACTOR AT BROOKHAVEN NATIONAL LABORATORY |
| Temperature [K] | 298 |
| Detector technology | AREA DETECTOR |
| Collection date | 1994-01-05 |
| Detector | MULTI-WIRE DETECTOR FOR NEUTRONS |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.530, 30.910, 34.780 |
| Unit cell angles | 90.00, 105.82, 90.00 |
Refinement procedure
| Resolution | 6.000 - 2.000 |
| R-factor | 0.16 |
| Rwork | 0.160 |
| R-free | 0.25000 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.500 |
| Data reduction software | MADNESS |
| Data scaling software | CCP4 ((AGROVATA) |
| Phasing software | X-PLOR |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.000 | 2.120 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.106 | 0.158 |
| Number of reflections | 8685 | |
| <I/σ(I)> | 9.3 | |
| Completeness [%] | 96.0 | 92.5 |
| Redundancy | 1.8 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 6.2 * | 298 | SODIUM/POTASSIUM PHOSPHATE, AMMONIUM SULFATE, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 30 (mg/ml) | |
| 2 | 1 | drop | ammonium sulfate | 45 (%sat) | |
| 3 | 1 | drop | 50 (mM) | ||
| 4 | 1 | reservoir | ammonium sulfate | 70 (%sat) |
