Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-03-20 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.91980 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 52.389, 82.854, 114.492 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.660 - 2.600 |
R-factor | 0.255 |
Rwork | 0.252 |
R-free | 0.30517 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1XNP |
RMSD bond length | 0.032 |
RMSD bond angle | 2.128 |
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] | 38.660 | 2.510 |
High resolution limit [Å] | 2.470 | 2.470 |
Rmerge | 0.086 | 0.634 |
Number of reflections | 17812 | |
<I/σ(I)> | 17.87 | 5.79 |
Completeness [%] | 96.2 | 73.3 |
Redundancy | 12.7 | 6.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 298 | 1.5 M lithium sulfate, 25% ethylene glycol, 0.1 M sodium acetate, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 298K |