Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-06-16 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97600 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 68.301, 94.106, 117.383 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 73.520 - 1.210 |
R-factor | 0.1008 |
Rwork | 0.100 |
R-free | 0.11946 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qm4 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.615 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 73.520 | 1.300 |
High resolution limit [Å] | 1.210 | 1.210 |
Rmerge | 0.050 | 0.185 |
Number of reflections | 113895 | |
<I/σ(I)> | 23.09 | 10.93 |
Completeness [%] | 99.0 | 97.5 |
Redundancy | 7.16 | 6.48 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 0.2M Lithium chloride, 0.1M Tris-HCl, 20% PEG 6000, 10.0% Ethylene glycol, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |