4ECA
ASPARAGINASE FROM E. COLI, MUTANT T89V WITH COVALENTLY BOUND ASPARTATE
Experimental procedure
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 110 |
Detector technology | IMAGE PLATE |
Collection date | 1995-06-08 |
Detector | RIGAKU |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 95.000, 126.200, 155.700 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 2.200 |
R-factor | 0.181 |
Rwork | 0.181 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3eca |
RMSD bond length | 0.015 |
RMSD bond angle | 25.000 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR (3.1) |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.300 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.102 | 0.410 |
Total number of observations | 197314 * | |
Number of reflections | 68197 | |
<I/σ(I)> | 11 | 2.2 |
Completeness [%] | 72.0 | 58 |
Redundancy | 2.9 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 5 | 15 * | CRYSTALS WERE GROWN BY VAPOR DIFFUSION PROTEIN SOLUTION: 17 MG/ML PROTEIN IN 10 MM TRIS-HCL, PH 7.0 WELL SOLUTION: 36% MPD, 100 MM SODIUM ASPARTATE, 100 MM SODIUM ACETATE, PH 5.0 DROP PROTEIN:WELL = 1:2 TEMPERATURE: 4C, vapor diffusion - hanging drop, temperature 277K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 5.7 (mg/ml) | |
2 | 1 | drop | Tris-HCl | 3.3 (mM) | |
3 | 1 | drop | MPD | 24 (%) | |
4 | 1 | drop | sodium aspartate | 67 (mM) | |
5 | 1 | drop | sodium acetate | 67 (mM) | |
6 | 1 | reservoir | MPD | 36 (%) | |
7 | 1 | reservoir | sodium aspartate | 100 (mM) | |
8 | 1 | reservoir | sodium acetate | 100 (mM) |