6XGS
Crystal Structure of Dihydrodipicolinate synthase (DHDPS) from Brucella suis 1330
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-03-03 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97740 |
Spacegroup name | P 32 |
Unit cell lengths | 86.650, 86.650, 142.970 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.330 - 2.200 |
R-factor | 0.1357 |
Rwork | 0.135 |
R-free | 0.16200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4i7u as per MORDA |
RMSD bond length | 0.011 |
RMSD bond angle | 1.625 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MoRDa |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.330 | 43.330 | 2.260 |
High resolution limit [Å] | 2.200 | 9.840 | 2.200 |
Rmerge | 0.125 | 0.033 | 0.566 |
Rmeas | 0.141 | 0.037 | 0.639 |
Total number of observations | 280045 | ||
Number of reflections | 60445 | 675 | 4443 |
<I/σ(I)> | 11.74 | 38.95 | 2.64 |
Completeness [%] | 99.1 | 98.5 | 98.2 |
Redundancy | 4.633 | 4.567 | 4.626 |
CC(1/2) | 0.993 | 0.998 | 0.804 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 287 | Qiagen JCSG Core-1 screen, f12: 40% (V/V) MPD, 100mM sodium phosphate dibasic / citric acid pH 4.2: BrsuA.01563.a.A1.PW34594; tray 231309f12, cryo, 20%EG, puck atd2-7 |