Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM16 |
Synchrotron site | ESRF |
Beamline | BM16 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-02-23 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9840 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 72.013, 34.322, 77.516 |
Unit cell angles | 90.00, 105.87, 90.00 |
Refinement procedure
Resolution | 37.281 - 1.900 |
R-factor | 0.2083 |
Rwork | 0.205 |
R-free | 0.26190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3t36 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.244 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.9) |
Phasing software | MOLREP |
Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 74.562 | 37.281 | 2.000 |
High resolution limit [Å] | 1.900 | 6.010 | 1.900 |
Rmerge | 0.035 | 0.217 | |
Total number of observations | 3413 | 11035 | |
Number of reflections | 28825 | ||
<I/σ(I)> | 12.1 | 15.9 | 2 |
Completeness [%] | 98.7 | 99.2 | 92.8 |
Redundancy | 3.5 | 3.4 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 0.2 M succinic acid, pH 5.5, 15% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 298K |