2DHN
COMPLEX OF 7,8-DIHYDRONEOPTERIN ALDOLASE FROM STAPHYLOCOCCUS AUREUS WITH 6-HYDROXYMETHYL-7,8-DIHYDROPTERIN AT 2.2 A RESOLUTION
Experimental procedure
Source type | ROTATING ANODE |
Source details | ENRAF-NONIUS FR591 |
Temperature [K] | 120 |
Detector technology | IMAGE PLATE |
Collection date | 1997-01-21 |
Detector | MARRESEARCH |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 62.200, 62.200, 123.800 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.200 |
R-factor | 0.202 |
Rwork | 0.202 |
R-free | 0.29800 |
Structure solution method | MR |
Starting model (for MR) | DHNA UNLIGANDED |
RMSD bond length | 0.011 |
RMSD bond angle | 1.860 |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | X-PLOR |
Refinement software | X-PLOR |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.320 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.053 | 0.195 |
Total number of observations | 27653 * | |
Number of reflections | 6008 * | |
<I/σ(I)> | 12 | 3.9 |
Completeness [%] | 95.9 | 98.6 |
Redundancy | 4.6 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 6.5 * | pH 6.6 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | magnesium formate | 200 (mM) | |
2 | 1 | reservoir | magnesium formate | 175 (mM) |