4QAW

Structure of modular Xyn30D from Paenibacillus barcinonensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	120
Detector technology	PIXEL
Collection date	2011-10-04
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	0.8726
Spacegroup name	P 32
Unit cell lengths	174.060, 174.060, 183.932
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.770 - 2.400
R-factor	0.19417
Rwork	0.194
R-free	0.20246
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gtn 2vzp
RMSD bond length	0.006
RMSD bond angle	1.180
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.770	2.530
High resolution limit [Å]	2.400	2.400
Rmerge	0.143	0.577
Number of reflections	243713
<I/σ(I)>	14.7	2.6
Completeness [%]	100.0	100
Redundancy	11.4	11.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	10% PEG 3350, 5% Glycerol, 0.1M Tris, Streak Seeding (2:1), pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K