9JBQ
Structure of the complex between h1F3 Fab and PcrV fragment
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2013-02-13 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 |
Unit cell lengths | 44.680, 52.005, 69.964 |
Unit cell angles | 99.02, 104.61, 115.21 |
Refinement procedure
Resolution | 23.499 - 2.000 |
R-factor | 0.1718 |
Rwork | 0.169 |
R-free | 0.21560 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | in-house model |
RMSD bond length | 0.007 |
RMSD bond angle | 1.136 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 10.000 | 2.030 |
High resolution limit [Å] | 2.000 | 5.430 | 2.000 |
Rmerge | 0.074 | 0.034 | 0.322 |
Total number of observations | 125724 | ||
Number of reflections | 33570 | 1739 | 1579 |
<I/σ(I)> | 11 | ||
Completeness [%] | 94.9 | 98.1 | 90.9 |
Redundancy | 3.7 | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.125 M Calcium chloride dehydrate, 0.1 M Sodium acetate trihydrate pH5.6, 24%w/v PEG3350 |