4KF2
Structure of the P4509 BM3 A82F F87V heme domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-18 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.270, 151.670, 60.800 |
| Unit cell angles | 90.00, 95.89, 90.00 |
Refinement procedure
| Resolution | 47.000 - 1.820 |
| R-factor | 0.18485 |
| Rwork | 0.183 |
| R-free | 0.22500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.026 |
| RMSD bond angle | 1.976 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.000 | 1.860 |
| High resolution limit [Å] | 1.820 | 1.820 |
| Rmerge | 0.068 | 0.472 |
| Number of reflections | 90135 | |
| Completeness [%] | 100.0 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277 | 20% PEG 3000, pH 6, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
