2V1J
Crystal structure of radiation-induced metmyoglobin - aqua ferrous myoglobin at pH 8.7
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X11 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-10-06 |
Detector | MARRESEARCH |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 62.731, 28.504, 35.451 |
Unit cell angles | 90.00, 106.22, 90.00 |
Refinement procedure
Resolution | 21.870 - 1.400 |
R-factor | 0.131 |
Rwork | 0.129 |
R-free | 0.16600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gjn |
RMSD bond length | 0.055 |
RMSD bond angle | 1.062 |
Data reduction software | MOSFLM |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 22.000 | 1.450 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.040 | 0.290 |
Number of reflections | 23656 | |
<I/σ(I)> | 24.2 | 2.8 |
Completeness [%] | 95.2 | 95.2 |
Redundancy | 3 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.7 | BATCH METHOD: 6-12 MG/ML MYOGLOBIN, 80-85% OF THE CRYSTALLIZATION STOCK-SOLUTION (3.9 M AMMONIUM SULPHATE, 0.1 M TAPS AND 5-10% OF GLYCEROL PH 8.7) |