3TLD
Crystal Structure of Y29F mutant of Vitreoscilla hemoglobin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2009-08-12 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.614, 41.068, 62.395 |
| Unit cell angles | 90.00, 105.58, 90.00 |
Refinement procedure
| Resolution | 31.575 - 1.896 |
| R-factor | 0.1668 |
| Rwork | 0.165 |
| R-free | 0.18880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.081 |
| Data reduction software | X-GEN |
| Data scaling software | X-GEN |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 31.500 | 31.000 | 1.833 |
| High resolution limit [Å] | 1.770 | 3.810 | 1.770 |
| Rmerge | 0.059 | 0.045 | 0.238 |
| Number of reflections | 27232 | ||
| <I/σ(I)> | 16.44 | 35.1 | 3.29 |
| Completeness [%] | 92.8 | 98.7 | 61.7 |
| Redundancy | 3.17 | 3.37 | 1.49 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 30 mg/mL protein in 1.2M (NH4)2SO4, 0.05M NaH2P2O7, 3% Ethylene Glycol, streak-seeded, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
