3ZOO
Structure of the Y46F mutant of human cytochrome c
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-07-12 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 1 |
Unit cell lengths | 36.367, 53.952, 58.950 |
Unit cell angles | 76.55, 88.73, 71.86 |
Refinement procedure
Resolution | 30.590 - 1.350 |
R-factor | 0.14035 |
Rwork | 0.138 |
R-free | 0.17935 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3nwv |
RMSD bond length | 0.017 |
RMSD bond angle | 1.990 |
Data reduction software | XDS |
Data scaling software | SCALA |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.600 | 1.420 |
High resolution limit [Å] | 1.350 | 1.350 |
Rmerge | 0.070 | 0.420 |
Number of reflections | 86068 | |
<I/σ(I)> | 8.7 | 2.3 |
Completeness [%] | 94.8 | 86.5 |
Redundancy | 3.6 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 26-31% (W/V) PEG 1000, 40 MM KH2PO4 PH 7.0 |