1SDN
CRYSTAL STRUCTURE OF A DEACYLATION-DEFECTIVE MUTANT OF PENICILLIN-BINDING PROTEIN 5 MODIFIED BY MERCURY
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | ENRAF-NONIUS FR591 |
Temperature [K] | 294 |
Detector technology | IMAGE PLATE |
Collection date | 1998-08-20 |
Detector | MAC Science DIP-2000H |
Wavelength(s) | 1.5418 |
Spacegroup name | P 32 |
Unit cell lengths | 50.700, 50.700, 140.300 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 15.000 - 2.500 |
R-factor | 0.17447 |
Rwork | 0.171 |
R-free | 0.24142 |
Structure solution method | REFINEMENT |
Starting model (for MR) | 1hd8 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.275 |
Data reduction software | NONIUS |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.400 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.074 | 0.203 |
Number of reflections | 13482 | |
<I/σ(I)> | 11.2 | 4.4 |
Completeness [%] | 95.6 | 88.7 |
Redundancy | 2.53 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 294 | 24% (w/v) polyethylene glycol 8000, 50mM sodium citrate, 100mM magnesium acetate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K |