3FVD
Crystal structure of a member of enolase superfamily from ROSEOVARIUS NUBINHIBENS ISM complexed with magnesium
Experimental procedure
Experimental method | SAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-08-02 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.9791 |
Spacegroup name | P 4 21 2 |
Unit cell lengths | 126.518, 126.518, 97.294 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.990 - 2.300 |
R-factor | 0.167 |
Rwork | 0.164 |
R-free | 0.22500 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.020 |
RMSD bond angle | 1.827 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.2.25) |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 97.294 | 33.010 | 2.340 |
High resolution limit [Å] | 2.220 | 7.020 | 2.220 |
Rmerge | 0.170 | 0.081 | 0.954 |
Total number of observations | 35441 | 133456 | |
Number of reflections | 39470 | ||
<I/σ(I)> | 3.708 | 7.6 | 0.7 |
Completeness [%] | 99.6 | 99.1 | 97.3 |
Redundancy | 28.5 | 25.4 | 24.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 5M Sodium formate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |