1W8V
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 | 1997-12-02 |
Detector | MARRESEARCH 300 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 36.182, 56.593, 70.239 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.000 - 1.700 |
R-factor | 0.174 |
Rwork | 0.174 |
R-free | 0.21900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1cwh |
RMSD bond length | 0.007 |
RMSD bond angle | 1.320 |
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 | 1.730 |
High resolution limit [Å] | 1.900 | 1.700 |
Rmerge | 0.050 | 0.140 |
Number of reflections | 16375 | |
<I/σ(I)> | 18 | 5 |
Completeness [%] | 99.5 | 98.5 |
Redundancy | 7.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 290 | 14 MG/ML IN HEPES 20MM, NACL 100 MM AND NAN3 0.02 % (W/V). CRYSTALS OF HCYPA WERE GROWN BY VAPOUR DIFFUSION AT 17C BY THE HANGING DROP METHOD IN 100MM TRIS.HCL (PH 8.0), 22% (W/V) PEG 8000, 5% (V/V) DMSO, 0.02% NAN3. |