3IDV
Crystal structure of the a0a fragment of ERp72
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE A1 |
Synchrotron site | CHESS |
Beamline | A1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-11-03 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9995 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 54.883, 54.883, 166.497 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.830 - 1.950 |
R-factor | 0.20841 |
Rwork | 0.206 |
R-free | 0.24577 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2b5e |
RMSD bond length | 0.014 |
RMSD bond angle | 1.440 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.020 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.120 | 0.374 |
Number of reflections | 18308 | |
<I/σ(I)> | 14.8 | 6.9 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 8.5 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 0.01M zinc chloride, 20% PEG 6000, 0.1M Tris-HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |