4K3Z
Crystal structure of D-erythrulose 4-phosphate dehydrogenase from Brucella melitensis, solved by iodide SAD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-07-06 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 62 2 2 |
Unit cell lengths | 103.500, 103.500, 256.540 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.860 - 1.950 |
R-factor | 0.1944 |
Rwork | 0.193 |
R-free | 0.22570 |
Structure solution method | SAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.366 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.5.2) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.000 |
High resolution limit [Å] | 1.950 | 8.720 | 1.950 |
Rmerge | 0.090 | 0.028 | 0.257 |
Number of reflections | 59958 | 760 | 3912 |
<I/σ(I)> | 24.13 | 42.49 | 6.65 |
Completeness [%] | 99.7 | 90.4 | 97.6 |
Redundancy | 17.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 290 | EmeraldBio JCSG screen, a3: 20% PEG 3350, 200mM ammonium citrate; BrmeA.18135.a.A1.PS01411 at 20mg/ml; crystal from tray 235328a3 incubated with 500mM NaI, 20% EG in 2 steps, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 290K |
2 |