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 | 2010-09-11 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97930 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.880, 82.010, 91.300 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.100 - 1.900 |
R-factor | 0.2077 |
Rwork | 0.206 |
R-free | 0.24040 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dqi |
RMSD bond length | 0.002 |
RMSD bond angle | 0.501 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.100 | 1.950 |
High resolution limit [Å] | 1.880 | 1.880 |
Rmerge | 0.054 | 0.383 |
Rmeas | 0.062 | 0.453 |
Rpim | 0.030 | 0.237 |
Number of reflections | 31984 | 2864 |
<I/σ(I)> | 14.1 | 2.6 |
Completeness [%] | 98.6 | 91.6 |
Redundancy | 4.1 | 3.1 |
CC(1/2) | 0.998 | 0.858 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 293 | 25% (w/v) PEG 2000 MME |