2GFJ
Crystal structure of the zinc-beta-lactamase L1 from stenotrophomonas maltophilia (inhibitor 1)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR591 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-03-08 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54179 |
| Spacegroup name | P 62 2 2 |
| Unit cell lengths | 105.880, 105.880, 197.860 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.830 - 1.800 |
| R-factor | 0.1977 |
| Rwork | 0.196 |
| R-free | 0.23926 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1sml |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.689 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | CCP4 |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.830 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.062 | 0.355 |
| Number of reflections | 58042 | |
| <I/σ(I)> | 9.9 | 2.2 |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 6.8 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.75 | 281 | 1.8M AMMONIUM SULFATE, 0.1M HEPES PH 7.75, 1.5% V/V PEG 400 , VAPOR DIFFUSION, HANGING DROP, temperature 281K |
