1ALQ
CIRCULARLY PERMUTED BETA-LACTAMASE FROM STAPHYLOCOCCUS AUREUS PC1
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 300 |
| Detector technology | AREA DETECTOR |
| Collection date | 1996-10 |
| Detector | SIEMENS |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 53.900, 94.200, 138.300 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.800 |
| R-factor | 0.191 |
| R-free | 0.25600 |
| Structure solution method | DIFFERENCE FOURIER |
| Starting model (for MR) | 3blm |
| RMSD bond length | 0.020 |
| RMSD bond angle | 0.040 |
| Data reduction software | XENGEN (V. 3.0) |
| Data scaling software | XENGEN (V. 3.0) |
| Phasing software | SHELXL-97 |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.910 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.079 | 0.408 |
| Total number of observations | 147535 * | |
| Number of reflections | 29813 | |
| <I/σ(I)> | 20.4 | 1.8 |
| Completeness [%] | 89.0 | 66 |
| Redundancy | 4.9 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 8 | PROTEIN WAS CRYSTALLIZED FROM 70% SATURATED AMMONIUM SULFATE SOLUTION, 0.3M KCL, 100MM NAHCO3 AT PH8.0, 0.5% V/V PEG600 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 5 (mg/ml) | |
| 10 | 1 | reservoir | 100 (mM) | ||
| 11 | 1 | reservoir | PEG6000 | 0.5 (%(v/v)) | |
| 2 | 1 | drop | ammonium sulfate | 30 (%sat) | |
| 3 | 1 | drop | potassium phosphate | 5 (mM) | |
| 4 | 1 | drop | ammonium sulfate | 35 (%sat) | |
| 5 | 1 | drop | 0.15 (M) | ||
| 6 | 1 | drop | 50 (mM) | ||
| 7 | 1 | drop | PEG6000 | 0.25 (%(v/v)) | |
| 8 | 1 | reservoir | ammonium sulfate | 70 (%sat) | |
| 9 | 1 | reservoir | 0.3 (M) |
