1NMK
The Sanglifehrin-Cyclophilin Interaction: Degradation Work, Synthetic Macrocyclic Analogues, X-ray Crystal Structure and Binding Data
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | ENRAF-NONIUS FR571 |
Temperature [K] | 293 |
Detector technology | IMAGE PLATE |
Collection date | 1997-02-26 |
Detector | MACSCIENCE |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.200, 67.300, 78.200 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.000 - 2.100 |
R-factor | 0.16453 |
Rwork | 0.163 |
R-free | 0.18891 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1cwa |
RMSD bond length | 0.013 |
RMSD bond angle | 1.406 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR |
Refinement software | REFMAC (5.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.000 | 2.170 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 18318 | |
<I/σ(I)> | 15.9 | 4.1 |
Completeness [%] | 99.3 | 99.9 |
Redundancy | 5.4 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | unknown * | 7 | 293 | PEG 6000, tris-HCl, NaCl, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |