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 |