Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 120 |
Detector technology | IMAGE PLATE |
Collection date | 2002-12-10 |
Detector | RIGAKU IMAGE PLATE |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 59.115, 139.430, 212.381 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.730 - 1.900 |
R-factor | 0.217 |
Rwork | 0.217 |
R-free | 0.25600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dd8 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.200 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.700 | 2.010 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.130 | 0.530 |
Number of reflections | 134141 | |
<I/σ(I)> | 4.4 | 2 |
Completeness [%] | 89.9 | 60.8 |
Redundancy | 2.2 | 1.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.4 | 2% PEG 400, 1.9 M AMMONIUM SULPHATE,0.1 M BIS-TRIS PROPANE PH 6.5 |