4XPY
Crystal structure of hemerythrin : L114Y mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13C1 |
| Synchrotron site | NSRRC |
| Beamline | BL13C1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-01-08 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1 |
| Spacegroup name | P 6 |
| Unit cell lengths | 83.112, 83.112, 31.013 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 23.490 - 1.130 |
| R-factor | 0.15045 |
| Rwork | 0.149 |
| R-free | 0.16971 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2avk |
| RMSD bond length | 0.029 |
| RMSD bond angle | 2.226 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | HKL-2000 |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.490 | 1.170 |
| High resolution limit [Å] | 1.130 | 1.130 |
| Number of reflections | 43683 | |
| <I/σ(I)> | 4.82 | 4.82 |
| Completeness [%] | 97.2 | 97.2 |
| Redundancy | 4.4 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291.15 | PEG 400, Ammonium acetate, Hepes |
