1BKH
MUCONATE LACTONIZING ENZYME FROM PSEUDOMONAS PUTIDA
Experimental procedure
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 277 |
Detector technology | IMAGE PLATE |
Collection date | 1994-02 |
Detector | RIGAKU RAXIS IIC |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 136.180, 136.180, 265.110 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 5.000 - 2.100 |
R-factor | 0.157 |
Rwork | 0.157 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | UNPUBLISHED MODEL THAT WAS SOLVED BY MOLECULAR REPLACEMENT USING 1MLE AS A MODEL |
RMSD bond length | 0.010 |
RMSD bond angle | 24.400 * |
Data reduction software | PROCESS |
Data scaling software | RIGAKU |
Phasing software | X-PLOR |
Refinement software | X-PLOR |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 2.220 | |
High resolution limit [Å] | 2.000 | 2.100 |
Rmerge | 0.067 | |
Total number of observations | 219744 * | |
Number of reflections | 58765 | |
<I/σ(I)> | 8.5 | 2 |
Completeness [%] | 70.0 | 36.1 |
Redundancy | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 * | MUCONATE LACTONIZING ENZYME (MLE; 5-10 MG/ML) WAS DIALYZED AGAINST 0.2 MM MNCL2, 7 MM MERCAPTOETHANOL, 50 MM TRIS (PH 7), AND CIS, CIS-MUCONATE WAS ADDED TO A FINAL CONCENTRATION OF 0.2 MM. CRYSTALS WERE GROWN AT ROOM TEMPERATURE BY SITTING-DROP VAPOR DIFFUSION AGAINST A WELL SOLUTION OF 70 MM NACL, 70 MM SODIUM ACETATE (PH 5.2), 0.25% POLYETHYLENE GLYCOL (AVERAGE MOLECULAR WEIGHT 3350). DROPS CONTAINED EQUAL VOLUMES (10 MICRO L) OF WELL SOLUTION AND MLE., vapor diffusion - sitting drop |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 5-10 (mg/ml) | |
2 | 1 | drop | 0.2 (mM) | ||
3 | 1 | drop | 2-mercaptoethanol | 7 (mM) | |
4 | 1 | drop | Tris | 50 (mM) | |
5 | 1 | drop | cis,cis-muconate | 0.2 (mM) | |
6 | 1 | reservoir | 70 (mM) | ||
7 | 1 | reservoir | sodium acetate | 70 (mM) | |
8 | 1 | reservoir | PEG3350 | 0.25 (%) |