4K93
CRYSTAL STRUCTURE OF probable sugar kinase protein from Rhizobium etli CFN 42 complexed with N-(HYDROXYMETHYL)BENZAMIDE
Experimental procedure
Experimental method | SAD |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-03-28 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.075 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 81.438, 91.184, 92.292 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.170 - 1.500 |
R-factor | 0.19538 |
Rwork | 0.194 |
R-free | 0.22210 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4e3a |
RMSD bond length | 0.009 |
RMSD bond angle | 1.321 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.520 |
High resolution limit [Å] | 1.490 | 4.040 | 1.490 |
Rmerge | 0.087 | 0.049 | 0.690 |
Number of reflections | 112089 | ||
<I/σ(I)> | 9.6 | ||
Completeness [%] | 99.7 | 99.6 | 100 |
Redundancy | 6.9 | 7.1 | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.2M AMMONIUM ACETATE, 0.1M BIS:TRIS:HCL, PH 6.5,25% PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 298K |