3UBC
Oxygen-bound hell's gate globin I by LB nanotemplate method
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Detector technology | CCD |
| Collection date | 2011-09-30 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 70.227, 126.533, 148.236 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 74.120 - 1.650 |
| R-factor | 0.20847 |
| Rwork | 0.207 |
| R-free | 0.23979 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.033 |
| RMSD bond angle | 2.498 |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 74.120 | 48.120 | 1.740 |
| High resolution limit [Å] | 1.650 | 5.220 | 1.650 |
| Rmerge | 0.030 | 0.789 | |
| Number of reflections | 79514 | ||
| <I/σ(I)> | 17.1 | 19.1 | 1 |
| Completeness [%] | 100.0 | 99.2 | 100 |
| Redundancy | 7.3 | 6.9 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LB NANOTEMPLATE | LB NANOTEMPLATE |
