6N14
Phosphoserine BlaC, Class A serine beta-lactamase from Mycobacterium tuberculosis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-11-17 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.840, 68.037, 75.454 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.097 - 1.522 |
R-factor | 0.155398583746 |
Rwork | 0.155 |
R-free | 0.16939 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2gdn |
RMSD bond length | 0.003 |
RMSD bond angle | 0.745 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.560 |
High resolution limit [Å] | 1.520 | 1.520 |
Rmerge | 0.099 | |
Rmeas | 0.107 | 0.914 |
Rpim | 0.040 | 0.403 |
Number of reflections | 40045 | |
<I/σ(I)> | 17.586 | 1.92 |
Completeness [%] | 99.9 | 98.9 |
Redundancy | 6.8 | |
CC(1/2) | 0.992 | 0.623 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 277.15 | 0.1 M HEPES pH 7.4, 2.25 M ammonium phosphate monobasic, protein concertation 15 mg/mL |