5OV4
Bacillus megaterium porphobilinogen deaminase D82A mutant
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 | 2014-10-12 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.092, 62.487, 91.391 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.564 - 2.692 |
R-factor | 0.2108 |
Rwork | 0.209 |
R-free | 0.23910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4mlv |
RMSD bond length | 0.002 |
RMSD bond angle | 0.479 |
Data reduction software | XDS |
Data scaling software | xia2 |
Phasing software | MOLREP |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.564 | 2.760 |
High resolution limit [Å] | 2.690 | 2.690 |
Rmerge | 0.128 | 0.483 |
Rmeas | 0.151 | 0.585 |
Number of reflections | 8221 | 579 |
<I/σ(I)> | 11.8 | 3.2 |
Completeness [%] | 99.6 | 97.4 |
Redundancy | 6.4 | 5.6 |
CC(1/2) | 0.990 | 0.797 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 3.7 | 294 | 0.2 M ammonium acetate, 0.1 M sodium acetate pH 3.7, 25 % PEG 4000 |