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 | 2006-04-07 |
Detector | ADSC CCD |
Spacegroup name | I 2 3 |
Unit cell lengths | 132.241, 132.241, 132.241 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.570 - 1.900 |
R-factor | 0.1485 |
Rwork | 0.147 |
R-free | 0.17520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1y0y |
RMSD bond length | 0.007 |
RMSD bond angle | 1.117 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.000 | 2.100 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.100 | 0.380 |
Number of reflections | 433624 | |
<I/σ(I)> | 18 | 7 |
Completeness [%] | 99.4 | 97.7 |
Redundancy | 14.5 | 13.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | 0.17 M AMMONIUM SULPHATE, 0.085 M TRIS HCL PH 8.5, 21.25% (W/V) PEG 3300, 2.0 MICROL DROPLETS TO WHICH 0.5 MICROL OF 30% GAMMA-BUTYROLACTONE IS ADDED |