6CQS
Sediminispirochaeta smaragdinae SPS-1 metallo-beta-lactamase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 4.2.2 |
Synchrotron site | ALS |
Beamline | 4.2.2 |
Temperature [K] | 100 |
Detector technology | CMOS |
Collection date | 2018-01-27 |
Detector | RDI CMOS_8M |
Wavelength(s) | 1.000032 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 73.601, 73.601, 108.784 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.860 - 1.700 |
R-factor | 0.1771 |
Rwork | 0.176 |
R-free | 0.19360 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4bp0 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.073 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.860 | 1.720 |
High resolution limit [Å] | 1.700 | 1.700 |
Number of reflections | 33588 | |
<I/σ(I)> | 6.76 | |
Completeness [%] | 100.0 | |
Redundancy | 4.68 | |
CC(1/2) | 0.995 | 0.705 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.2 M magnesium chloride 0.1 M sodium cacodylate:HCl 50% (v/v) PEG 200 |