2I6Q
Complement component C2a
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-09-29 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9330 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 51.482, 77.185, 70.858 |
Unit cell angles | 90.00, 109.55, 90.00 |
Refinement procedure
Resolution | 50.500 - 2.100 |
Rwork | 0.189 |
R-free | 0.24000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | : 2I6S |
RMSD bond length | 0.004 |
RMSD bond angle | 0.861 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.500 | 2.210 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.061 | 0.523 |
Total number of observations | 7222 | |
Number of reflections | 27471 | |
<I/σ(I)> | 10.4 | 1.5 |
Completeness [%] | 89.9 | 57.4 |
Redundancy | 3.6 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 35% PEG 1000, 0.025 M sodium malonate, 0.0375 M imidazole, 0.0375 M boric acid, 3% xylitol, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |