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 |