Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 5.2R |
Synchrotron site | ELETTRA |
Beamline | 5.2R |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-04-04 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.0 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 74.563, 93.324, 37.456 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.505 - 2.022 |
R-factor | 0.2134 |
Rwork | 0.211 |
R-free | 0.25500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1nxt |
RMSD bond length | 0.014 |
RMSD bond angle | 1.643 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.510 | 2.250 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 6892 | 682 |
<I/σ(I)> | 2 | |
Completeness [%] | 93.8 | 95.09 |
Redundancy | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 298 | 30% (vol/vol) polyethylene glycol 300 (PEG-300), 0.1 M Tris-HCl buffer (pH 7.0) |