4ZNB
METALLO-BETA-LACTAMASE (C181S MUTANT)
Experimental procedure
Source type | ROTATING ANODE |
Source details | SIEMENS |
Temperature [K] | 100 |
Detector technology | AREA DETECTOR |
Detector | SIEMENS |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 78.000, 78.000, 139.800 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 8.000 - 2.650 |
R-factor | 0.173 |
Rwork | 0.173 |
R-free | 0.25000 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.600 |
Data reduction software | XENGEN |
Data scaling software | XENGEN |
Phasing software | X-PLOR (3.1) |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 10.900 | 2.820 |
High resolution limit [Å] | 2.650 | 2.650 |
Rmerge | 0.143 | 0.452 |
Number of reflections | 12469 | 1781 * |
<I/σ(I)> | 2 | 2 |
Completeness [%] | 95.0 | 83 |
Redundancy | 5.5 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 7 | drop consists of equal volume of protein and reservoir solutions * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 8 (mg/ml) | |
2 | 1 | drop | HEPES | 10 (mM) | |
3 | 1 | drop | 0.01 (mM) | ||
4 | 1 | drop | 0.3 (M) | ||
5 | 1 | reservoir | PEG2000 | 26-28 (%) | |
6 | 1 | reservoir | HEPES | 0.1 (M) |