Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X13 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-05-01 |
Detector | RAYONIX SX-165mm |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 65.628, 65.628, 178.598 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 61.600 - 1.550 |
R-factor | 0.17816 |
Rwork | 0.176 |
R-free | 0.21669 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2trt |
RMSD bond length | 0.020 |
RMSD bond angle | 2.051 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | AMoRE |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.900 | 1.650 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.060 | 1.080 |
Number of reflections | 28546 | |
<I/σ(I)> | 26.5 | 2.94 |
Completeness [%] | 99.2 | 99.4 |
Redundancy | 10.8 | 10.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 9 | 50 MM TRIS-HCL PH 9.0, 1 M (NH4)2SO4, 70 MM NACL, 10 MM MGCL2 |