8U49

The Apo Crystal Structure of BlCel9A from Glycoside Hydrolase Family 9

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-09-29
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.458660
Spacegroup name	C 1 2 1
Unit cell lengths	133.571, 67.406, 100.916
Unit cell angles	90.00, 125.06, 90.00

Refinement procedure

Resolution	36.870 - 1.800
R-factor	0.1743
Rwork	0.173
R-free	0.20670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1js4
RMSD bond length	0.006
RMSD bond angle	0.794
Data reduction software	autoPROC
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.870	5.380
High resolution limit [Å]	1.800	1.800
Rmerge	0.182
Rmeas	0.201
Rpim	0.082
Number of reflections	66792	66792
<I/σ(I)>	9.26	9.31
Completeness [%]	97.6	97.6
Redundancy	5.7
CC(1/2)	0.992	0.990

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291.15	6 mg/mL protein, 100 mM Tris, pH 8.5, 15% w/v PEG20000, crystal growth within ~5 days