3AQ9
Crystal structure of truncated hemoglobin from Tetrahymena pyriformis, Q50E mutant, Fe(III) form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-6A |
Synchrotron site | Photon Factory |
Beamline | BL-6A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-10-14 |
Detector | ADSC QUANTUM 4r |
Wavelength(s) | 1.0000 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 69.125, 69.125, 352.579 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.640 - 1.740 |
R-factor | 0.18839 |
Rwork | 0.187 |
R-free | 0.20727 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3aq5 |
RMSD bond length | 0.037 |
RMSD bond angle | 2.873 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.770 |
High resolution limit [Å] | 1.740 | 1.740 |
Number of reflections | 52931 | |
<I/σ(I)> | 3 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 2.0M ammonium citrate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |