Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 80 |
Detector technology | CCD |
Collection date | 2005-07-23 |
Detector | MAR CCD 130 mm |
Wavelength(s) | 0.98400 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 55.890, 61.710, 110.360 |
Unit cell angles | 90.00, 99.33, 90.00 |
Refinement procedure
Resolution | 19.950 - 1.961 |
R-factor | 0.1655 |
Rwork | 0.163 |
R-free | 0.21350 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1v8z |
RMSD bond length | 0.011 |
RMSD bond angle | 1.090 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.950 | 2.031 |
High resolution limit [Å] | 1.960 | 1.961 |
Rmerge | 0.061 | 0.427 |
Rmeas | 0.071 | 0.500 |
Rpim | 0.037 | 0.258 |
Number of reflections | 53095 | |
<I/σ(I)> | 15.05 | |
Completeness [%] | 99.4 | |
Redundancy | 3.8 | |
CC(1/2) | 0.998 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 292 | 30% PEG 4000, 100 mM Tris pH 8.5 and 100 mM NaCl |