4WCH
Structure of Isolated D Chain of Gigant Hemoglobin from Glossoscolex paulistus
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 | PIXEL |
Collection date | 2011-09-25 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.920 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 53.110, 63.150, 78.386 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.968 - 2.050 |
R-factor | 0.2096 |
Rwork | 0.207 |
R-free | 0.23390 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.967 |
Data reduction software | XDS (0.3.8) |
Data scaling software | Aimless |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.970 | 43.970 | 2.110 |
High resolution limit [Å] | 2.050 | 8.940 | 2.050 |
Rmerge | 0.068 | 0.018 | 0.977 |
Rpim | 0.036 | 0.010 | 0.524 |
Total number of observations | 36867 | 495 | 2836 |
Number of reflections | 8521 | ||
<I/σ(I)> | 19.5 | 72 | 2.5 |
Completeness [%] | 99.5 | 99.2 | 99.3 |
Redundancy | 4.3 | 3.8 | 4.3 |
CC(1/2) | 0.999 | 0.999 | 0.646 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 1.5M Sodium Citrate |