Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X13 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-09-15 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.8123 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.390, 93.150, 115.420 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.030 - 2.330 |
R-factor | 0.20498 |
Rwork | 0.202 |
R-free | 0.25809 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1tu7 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.618 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.030 | 2.460 |
High resolution limit [Å] | 2.330 | 2.330 |
Rmerge | 0.113 | 0.317 |
Number of reflections | 21281 | |
<I/σ(I)> | 9.7 | 4.3 |
Completeness [%] | 98.7 | 99.9 |
Redundancy | 4.5 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 290 | 0.2M MAGNESIUM ACETATE, 0.1M SODIUM CACODYLATE, 10% (W/V) PEG 8000; 15% GLYCEROL WAS USED AS CRYOPROTECTANT FOR DATA COLLECTION |