Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X11 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-05-25 |
Detector | MARRESEARCH |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 78.709, 203.175, 79.815 |
Unit cell angles | 90.00, 91.81, 90.00 |
Refinement procedure
Resolution | 48.450 - 1.950 |
R-factor | 0.18 |
Rwork | 0.178 |
R-free | 0.23000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2G1I |
RMSD bond length | 0.019 |
RMSD bond angle | 1.850 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP (- AUTO MR) |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.450 | 2.060 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.100 | 0.510 |
Number of reflections | 155315 | |
<I/σ(I)> | 11.5 | 2.5 |
Completeness [%] | 86.3 | 80.6 |
Redundancy | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.45 | 281 | 50MM MES, 1MM DTT, 5MM TDP, 5MM MAGNESIUM SULFATE, 10% PEG 2000, 10% PEG 8000, 2MG KLPDC/ML, PH 6.45, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 281K |