4M3J

Structure of a single-domain camelid antibody fragment cAb-H7S specific of the BlaP beta-lactamase from Bacillus licheniformis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-02-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.98011
Spacegroup name	P 21 21 21
Unit cell lengths	53.562, 54.615, 83.445
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.700 - 1.950
R-factor	0.20812
Rwork	0.206
R-free	0.25213
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.564
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.700	2.050
High resolution limit [Å]	1.950	1.950
Rmerge	0.057	0.818
Number of reflections	18390
<I/σ(I)>	16.2	2.5
Completeness [%]	99.3	95.5
Redundancy	6.9	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	0.2 uL 0.2 M ammonium sulphate 0.1 M NaAc, pH 4.6, 25% PEG4000 + 0.2 uL cAb-H7S 15 mg/ml 20 mM tris, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K