Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE F1 |
Synchrotron site | CHESS |
Beamline | F1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-05-08 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.912386 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 95.034, 75.029, 75.199 |
Unit cell angles | 90.00, 108.77, 90.00 |
Refinement procedure
Resolution | 33.560 - 2.040 |
R-factor | 0.1983 |
Rwork | 0.197 |
R-free | 0.25750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ls3 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.345 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.080 |
High resolution limit [Å] | 2.040 | 5.540 | 2.040 |
Rmerge | 0.060 | 0.042 | 0.397 |
Total number of observations | 109928 | ||
Number of reflections | 31273 | 1567 | 1522 |
<I/σ(I)> | 14.3 | ||
Completeness [%] | 98.6 | 95.5 | 96.5 |
Redundancy | 3.5 | 3.1 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 297 | 5% PEG 8000, 0.1 M Tris-HCL pH8.0 |