1BXM
ENGINEERED BETA-CRYPTOGEIN COMPLEXED WITH ERGOSTEROL
Experimental procedure
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 277 |
Detector technology | IMAGE PLATE |
Collection date | 1996-02 |
Detector | MARRESEARCH |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 31.130, 95.230, 65.700 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 8.000 - 2.150 |
R-factor | 0.189 |
Rwork | 0.189 |
R-free | 0.22900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | THE REFINED 2.2 ANGSTROMS RESOLUTION STRUCTURE OF THE WILD-TYPE BETA-CRYPTOGEIN (1BEO). THE ERGOSTEROL MOLECULE WAS CONSTRUCTED USING AS A TEMPLATE THE COORDINATES OF THE CHOLESTERYL LINOLEATE MOLECULE COMPLEXED TO THE CHOLESTEROL ESTERASE (1CLE). |
RMSD bond length | 0.009 |
RMSD bond angle | 22.800 * |
Data reduction software | ROTAVATA |
Data scaling software | XDS |
Phasing software | X-PLOR (3.851) |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 10.000 |
High resolution limit [Å] | 2.100 |
Rmerge | 0.046 * |
Total number of observations | 33143 * |
Number of reflections | 5370 |
Completeness [%] | 96.1 |
Redundancy | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 4.5 | pH 4.5 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 75 (mg/ml) | |
2 | 1 | reservoir | 3.2-4.9 (M) | ||
3 | 1 | reservoir | sodium acetate | 50 (mM) | |
4 | 1 | reservoir | 0.01 (%) |