Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-11-06 |
Detector | MARRESEARCH |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 88.990, 88.990, 183.923 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 21.230 - 1.800 |
R-factor | 0.16302 |
Rwork | 0.161 |
R-free | 0.18367 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2bh7 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.403 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 21.380 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.080 | 0.410 |
Number of reflections | 41725 | |
<I/σ(I)> | 22.5 | 3.7 |
Completeness [%] | 98.0 | 99.6 |
Redundancy | 8.9 | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4 | 1M LICL, 10 % PEG 6K, 0.1M ZNCL2, PH 4 |