1AK4
HUMAN CYCLOPHILIN A BOUND TO THE AMINO-TERMINAL DOMAIN OF HIV-1 CAPSID
Experimental procedure
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X12B |
Synchrotron site | NSLS |
Beamline | X12B |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1996-06 |
Detector | MARRESEARCH |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 38.600, 113.100, 67.000 |
Unit cell angles | 90.00, 100.70, 90.00 |
Refinement procedure
Resolution | 6.000 - 2.360 |
R-factor | 0.238 |
Rwork | 0.238 |
R-free | 0.30600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | CYPA STRUCTURE (PDB ENTRY 2CYH) |
RMSD bond length | 0.005 |
RMSD bond angle | 1.300 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR (3.843) |
Refinement software | X-PLOR (3.843) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.400 |
High resolution limit [Å] | 2.360 | 2.360 |
Rmerge | 0.110 * | 0.399 * |
Number of reflections | 21503 | 1049 * |
<I/σ(I)> | 10.5 | 3.5 |
Completeness [%] | 97.0 | 91 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, sitting drop * | 7 | 21 * | THE PROTEIN SOLUTION WAS 0.25 MM CYPA AND 0.25 MM CA(151) IN 10 MM TRISHCL (PH 8.0) AND 1 MM 2-MERCAPTOETHANOL. THE RESERVOIR SOLUTION WAS 1ML OF 1.0 M LICL, 0.1 M BICINE (PH 7.0), AND 22% POLYETHYLENE GLYCOL 8000. THE INITIAL DROP WAS 6 MICROL OF A 1:1 MIX OF PROTEIN AND RESERVOIR SOLUTIONS. |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | CyPA | 0.125 (mM) | |
10 | 1 | reservoir | PEG8000 | 22 (%) | |
2 | 1 | drop | CA151 | 0.125 (mM) | |
3 | 1 | drop | Tris-HCl | 5 (mM) | |
4 | 1 | drop | 2-mercaptoethanol | 0.5 (mM) | |
5 | 1 | drop | 0.50 (M) | ||
6 | 1 | drop | Bicine | 0.50 (M) | |
7 | 1 | drop | PEG8000 | 11 (%) | |
8 | 1 | reservoir | 1.0 (M) | ||
9 | 1 | reservoir | Bicine | 0.1 (M) |