1A6K
AQUOMET-MYOGLOBIN, ATOMIC RESOLUTION
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 90 |
| Detector technology | IMAGE PLATE AREA DETECTOR |
| Collection date | 1997-01 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.900, 30.730, 34.360 |
| Unit cell angles | 90.00, 105.70, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.100 |
| R-factor | 0.1312 |
| R-free | 0.15250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mbc |
| RMSD bond length | 0.017 |
| RMSD bond angle | 0.034 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.150 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.046 * | 0.295 * |
| Total number of observations | 302654 * | |
| Number of reflections | 51794 | |
| <I/σ(I)> | 25 | 6 |
| Completeness [%] | 98.0 | 97 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Batch method * | 7 | pH 7.0 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | ammonium sulfate | ||
| 2 | 1 | 1 | myoglobin | 50 (mg/ml) | |
| 3 | 1 | 1 | potassium phosphate | 50 (mM) |
