2AFB
Crystal structure of 2-dehydro-3- deoxygluconokinase (EC 2.7.1.45) (tm0067) from THERMOTOGA MARITIMA at 2.05 A resolution
Replaces: 1J5VExperimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-07-01 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.979413, 0.904964, 0.979150 |
Spacegroup name | H 3 2 |
Unit cell lengths | 120.993, 120.993, 260.300 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.630 - 2.050 |
R-factor | 0.177 |
Rwork | 0.176 |
R-free | 0.23000 |
Structure solution method | MAD |
RMSD bond length | 0.018 |
RMSD bond angle | 1.550 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | SnB |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.690 | 49.690 | 2.160 |
High resolution limit [Å] | 2.050 | 6.480 | 2.050 |
Rmerge | 0.077 | 0.040 | 0.381 |
Number of reflections | 45533 | ||
<I/σ(I)> | 6.6 | 12.4 | 1.9 |
Completeness [%] | 98.2 | 89.9 | |
Redundancy | 4.6 | 4.6 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION,SITTING DROP,NANODROP | 7 | 273 | 50.0% PEG-200, 0.1M Tris pH 7.0 , VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 273K |