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 |