5XEP

Crystal structure of BRP39, a chitinase-like protein, at 2.6 Angstorm resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	297
Detector technology	CCD
Collection date	2006-03-13
Detector	MAR CCD 130 mm
Wavelength(s)	0.97946
Spacegroup name	C 1 2 1
Unit cell lengths	130.610, 81.320, 229.330
Unit cell angles	90.00, 105.86, 90.00

Refinement procedure

Resolution	38.270 - 2.600
R-factor	0.1919
Rwork	0.190
R-free	0.23090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ljy
RMSD bond length	0.003
RMSD bond angle	0.759
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX (1.11.1_2575)
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.670
High resolution limit [Å]	2.600	2.600
Rmerge	0.085	0.486
Number of reflections	71290	5288
<I/σ(I)>	13.08	2.97
Completeness [%]	99.7	99.8
Redundancy	3.78	3.78
CC(1/2)	0.997	0.834

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	293	20% PEG6000, 1M LiCl2, 0.1M Bicine buffer, pH 9.0