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 |
