1XQ5
Met-Perch Hemoglobin at 1.9A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2004-07-31 |
Detector | APS-1 |
Wavelength(s) | 0.97934 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.302, 84.986, 121.779 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 69.010 - 1.900 |
R-factor | 0.24573 |
Rwork | 0.243 |
R-free | 0.29717 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ouu |
RMSD bond length | 0.018 |
RMSD bond angle | 1.809 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 69.007 | 1.970 |
High resolution limit [Å] | 1.898 | 1.900 |
Rmerge | 0.084 | 0.521 |
Number of reflections | 43714 | |
<I/σ(I)> | 15.096 | 4.027 |
Completeness [%] | 96.3 | 96.1 |
Redundancy | 6.5 | 5.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Batch | 7 | 296 | PEG 4K, Hepes, pH 7.0, Batch, temperature 296K |