Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2006-08-28 |
Detector | RIGAKU IMAGE PLATE |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.630, 132.713, 161.287 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 102.600 - 2.300 |
R-factor | 0.18315 |
Rwork | 0.181 |
R-free | 0.22715 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1bzl |
RMSD bond length | 0.004 |
RMSD bond angle | 0.956 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0082) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.070 | 2.420 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.050 | 0.100 |
Number of reflections | 55415 | |
<I/σ(I)> | 22.9 | 9.2 |
Completeness [%] | 94.9 | 85.7 |
Redundancy | 5 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 0.1 M BIS-TRIS PH 8.0, 2.0 AMMONIUM SULFATE, 5 % PEG 400 |