Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X31 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X31 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2001-04-04 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.2000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 27.050, 41.070, 52.570 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.760 - 2.500 |
R-factor | 0.22325 |
Rwork | 0.223 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 431d |
RMSD bond length | 0.016 |
RMSD bond angle | 2.818 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.400 | 2.640 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.056 | 0.583 |
Number of reflections | 2203 | |
<I/σ(I)> | 14.9 | 1.8 |
Completeness [%] | 98.5 | 98.1 |
Redundancy | 3.1 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 289 | 21.1mM sodium cacodylate, 47.4mM magnesium chloride, 21.1% MPD, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K |