6JVU
Crystal structure of Klebsiella pneumoniae CysE in complex with L-cysteine
Experimental procedure
Experimental method | LAUE |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-04-15 |
Detector | MAR CCD 130 mm |
Wavelength(s) | 0.9785 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 68.770, 110.750, 101.790 |
Unit cell angles | 90.00, 96.62, 90.00 |
Refinement procedure
Resolution | 101.110 - 2.800 |
R-factor | 0.2244 |
Rwork | 0.223 |
R-free | 0.25700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1t3d |
RMSD bond length | 0.016 |
RMSD bond angle | 1.789 |
Data reduction software | MOSFLM (7.2.1) |
Data scaling software | SCALA (3.3.22) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 110.750 | 74.672 | 2.950 |
High resolution limit [Å] | 2.800 | 8.800 | 2.800 |
Rmerge | 0.067 | 0.042 | 0.964 |
Rmeas | 0.072 | 0.046 | 1.032 |
Rpim | 0.026 | 0.018 | 0.368 |
Number of reflections | 37156 | 1218 | 5376 |
<I/σ(I)> | 16.5 | 11.9 | 0.8 |
Completeness [%] | 99.3 | 98.7 | 99 |
Redundancy | 7.8 | 7.3 | 7.8 |
CC(1/2) | 0.999 | 0.771 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 25% v/v ethylene glycol+ 3% w/v trimethylamine N-oxide dihydrate |