Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-10-01 |
Detector | ADSC CCD |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 98.420, 98.420, 120.570 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 76.250 - 2.800 |
R-factor | 0.204 |
Rwork | 0.201 |
R-free | 0.25900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1s1m |
RMSD bond length | 0.010 |
RMSD bond angle | 1.272 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.200 | 1.130 |
Number of reflections | 15092 | |
<I/σ(I)> | 15.3 | 2.9 |
Completeness [%] | 99.6 | 100 |
Redundancy | 14.3 | 14.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |