4AFR
THE STRUCTURE OF METACASPASE 2 (C213A MUTANT) FROM T. BRUCEI
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-02-20 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 78.500, 49.923, 85.640 |
Unit cell angles | 90.00, 117.09, 90.00 |
Refinement procedure
Resolution | 76.250 - 1.600 |
R-factor | 0.15803 |
Rwork | 0.156 |
R-free | 0.20140 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4af8 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.293 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | REFMAC |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.390 | 1.690 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.070 | 0.350 |
Number of reflections | 38024 | |
<I/σ(I)> | 13.1 | 4 |
Completeness [%] | 97.5 | 88.9 |
Redundancy | 4.8 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 50 MM HEPES PH 7.0, 0.1% TRYPTONE, 20% PEG 3350 |