5CSU
Disproportionating enzyme 1 from Arabidopsis - acarviostatin soak
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-08-09 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9790 |
Spacegroup name | P 1 |
Unit cell lengths | 70.830, 74.130, 79.730 |
Unit cell angles | 64.59, 69.76, 66.57 |
Refinement procedure
Resolution | 40.950 - 2.530 |
R-factor | 0.2094 |
Rwork | 0.207 |
R-free | 0.24860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1x1n |
RMSD bond length | 0.010 |
RMSD bond angle | 1.439 |
Data reduction software | XDS |
Data scaling software | Aimless (0.1.29) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0124) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.950 | 40.950 | 2.600 |
High resolution limit [Å] | 2.530 | 11.310 | 2.530 |
Rmerge | 0.122 | 0.062 | 0.515 |
Rpim | 0.085 | 0.044 | 0.358 |
Total number of observations | 123306 | 1214 | 8992 |
Number of reflections | 42064 | ||
<I/σ(I)> | 5.7 | 11.6 | 1.9 |
Completeness [%] | 95.9 | 86.2 | 96.4 |
Redundancy | 2.9 | 2.9 | 2.9 |
CC(1/2) | 0.984 | 0.989 | 0.701 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 1 microliter of 9% PEG2000 MME in 0.1 M HEPES-NaOH, pH 8.0 was added to 1 microliter of protein at a concentration of 10 mg/ml in 20 mM HEPES-NaOH, pH 7.5, 150 mM NaCl |