4B88
Ancestral (GNCA) Beta-lactamase class A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR591 |
| Temperature [K] | 297 |
| Detector technology | IMAGE PLATE |
| Collection date | 2012-04-18 |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | I 41 |
| Unit cell lengths | 94.833, 94.833, 95.340 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 18.659 - 2.050 |
| R-factor | 0.1285 |
| Rwork | 0.127 |
| R-free | 0.16560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qpn |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.354 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.430 | 2.160 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.140 | 0.650 |
| Number of reflections | 26457 | |
| <I/σ(I)> | 13.8 | 3.5 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.4 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | COUNTER-DIFFUSION | 4 | COUNTER-DIFFUSION METHOD. 5.0 M SODIUM FORMATE, 0.1 M SODIUM ACETATE PH 4.0 |
