2VLY
Crystal structure of myoglobin compound III (radiation-induced)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM1A |
Synchrotron site | ESRF |
Beamline | BM1A |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2007-11-17 |
Detector | MARRESEARCH |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 63.760, 28.730, 35.440 |
Unit cell angles | 90.00, 105.83, 90.00 |
Refinement procedure
Resolution | 21.940 - 1.600 |
R-factor | 0.169 |
Rwork | 0.167 |
R-free | 0.20900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gjn |
RMSD bond length | 0.056 |
RMSD bond angle | 1.248 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | CNS |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 21.970 | 1.690 |
High resolution limit [Å] | 1.500 | 1.600 |
Rmerge | 0.080 | 0.450 |
Number of reflections | 16256 | |
<I/σ(I)> | 6.74 | 1.14 |
Completeness [%] | 98.1 | 99.5 |
Redundancy | 2.74 | 2.73 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.8 | CRYSTALLIZATION CONDITIONS: BATCH METHOD: 6-12 MG/ML MYOGLOBIN, 80-85% OF THE CRYSTALLIZATION STOCK-SOLUTION (3.9 M AMMONIUM SULPHATE, 0.1 M MOPS, 5-10% OF GLYCEROL PH 6.8) |