3D1K
R/T intermediate quaternary structure of an antarctic fish hemoglobin in an alpha(CO)-beta(pentacoordinate) state
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-11-04 |
Wavelength(s) | 1.00 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 88.458, 87.664, 55.502 |
Unit cell angles | 90.00, 99.16, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.250 |
R-factor | 0.167 |
Rwork | 0.167 |
R-free | 0.20200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1t1n |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 30.000 |
High resolution limit [Å] | 1.250 |
Number of reflections | 114368 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIQUID DIFFUSION | 7.6 | 298 | Crysatls grew in a week by using a protein concentration of 6mg/ml and 14% w/v MPEG5000 in a 50mM Tris HCl buffer at ph 7.6, LIQUID DIFFUSION, temperature 298K |