3TM9
Y29A mutant of Vitreoscilla stercoraria 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 | C 1 2 1 |
Unit cell lengths | 85.194, 46.426, 62.873 |
Unit cell angles | 90.00, 128.84, 90.00 |
Refinement procedure
Resolution | 31.123 - 1.720 |
R-factor | 0.1756 |
Rwork | 0.172 |
R-free | 0.20600 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.018 |
RMSD bond angle | 1.481 |
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] | 32.500 | 32.500 | 1.864 |
High resolution limit [Å] | 1.800 | 3.878 | 1.800 |
Rmerge | 0.071 | 0.031 | 0.454 |
Number of reflections | 20497 | ||
<I/σ(I)> | 11.002 | 29.44 | 1.69 |
Completeness [%] | 88.3 | 98 | 47.8 |
Redundancy | 3.3 | 3.58 | 1.67 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 298 | 27 mg/mL protein in 1.3M (NH4)2SO4, 0.05M NaH2P2O7, 3% ethylene glycol. Not streak-seeded, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |