8SWR
Structure of K. lactis PNP S42E variant bound to transition state analog DADMe-IMMUCILLIN G and sulfate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-10-14 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.075 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 89.430, 111.005, 97.870 |
Unit cell angles | 90.00, 108.30, 90.00 |
Refinement procedure
Resolution | 29.890 - 2.300 |
R-factor | 0.203 |
Rwork | 0.201 |
R-free | 0.23630 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.638 |
Data reduction software | MOSFLM |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 2.340 |
High resolution limit [Å] | 2.300 | 6.230 | 2.300 |
Rmerge | 0.070 | 0.035 | 0.823 |
Total number of observations | 337016 | ||
Number of reflections | 80600 | 4084 | 3991 |
<I/σ(I)> | 11.9 | ||
Completeness [%] | 99.9 | 98.5 | 100 |
Redundancy | 4.2 | 4.1 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 292 | 20% (w/v) PEG 3,350, 0.2 M di-Ammonium citrate |