5JRM

Crystal Structure of a Xylanase at 1.56 Angstroem resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	CCD
Collection date	2015-10-09
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.98010
Spacegroup name	P 21 21 2
Unit cell lengths	105.233, 35.886, 48.343
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.965 - 1.560
R-factor	0.1895
Rwork	0.187
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4hkl
RMSD bond length	0.007
RMSD bond angle	1.132
Data reduction software	XDS (March 1, 2015)
Data scaling software	Aimless (0.5.15)
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.080	1.616
High resolution limit [Å]	1.560	1.560
Rmerge	0.099	0.901
Number of reflections	26596
<I/σ(I)>	13.91	1.89
Completeness [%]	99.2	97.4
Redundancy	7	7.1
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	0.1 M sodium citrate pH 5 and various ammonium sulfate concentrations