1W8L
Enzymatic and structural characterization of non peptide ligand cyclophilin complexes
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | NONIUS |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1997-01-10 |
Detector | MARRESEARCH 300 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 36.090, 54.310, 70.970 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.000 - 1.800 |
R-factor | 0.179 |
Rwork | 0.179 |
R-free | 0.23000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1cwh |
RMSD bond length | 0.007 |
RMSD bond angle | 1.250 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 24.000 | 1.830 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.050 | 0.250 |
Number of reflections | 13305 | |
<I/σ(I)> | 16.5 | 2.5 |
Completeness [%] | 98.7 | 90.7 |
Redundancy | 7.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 100MM TRIS.HCL (PH 8.0), 22% (W/V) PEG 8000, 5% (V/V) DMSO, 0.02% NAN3. |