5WIG
Structure of New Delhi Metallo-Beta-lactamase 4 (NDM-4)
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 | 2016-06-25 |
Detector | RDI CMOS_8M |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 41.414, 59.154, 84.500 |
Unit cell angles | 90.00, 98.70, 90.00 |
Refinement procedure
Resolution | 39.177 - 1.400 |
R-factor | 0.2009 |
Rwork | 0.200 |
R-free | 0.22520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4tyf |
RMSD bond length | 0.011 |
RMSD bond angle | 1.473 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.180 | 1.450 |
High resolution limit [Å] | 1.400 | 1.400 |
Number of reflections | 79231 | 7915 |
<I/σ(I)> | 9.68 | |
Completeness [%] | 99.6 | 99.89 |
Redundancy | 3.5 | |
CC(1/2) | 0.998 | 0.396 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.1M bis-tris, 20% polyethylene glycol monomethyl ether 550 |