Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-03-15 |
Detector | ADSC CCD |
Spacegroup name | P 43 |
Unit cell lengths | 65.900, 65.900, 38.900 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.300 - 1.600 |
R-factor | 0.21 |
Rwork | 0.210 |
R-free | 0.25000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2mta |
RMSD bond length | 0.005 |
RMSD bond angle | 1.130 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 33.300 | 1.700 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.110 | 0.220 |
Number of reflections | 21535 | |
<I/σ(I)> | 3.4 | |
Completeness [%] | 96.1 | 79 |
Redundancy | 6.4 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 40 % PEG 5K, 0.3 M SODIUM CACODYLATE, PH 6.5 |