5YUQ

The high resolution structure of chitinase (RmChi1) from the thermophilic fungus Rhizomucor miehei (sp P1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	293.15
Detector technology	CCD
Collection date	2012-12-30
Detector	RAYONIX MX-225
Wavelength(s)	0.9793
Spacegroup name	P 1
Unit cell lengths	54.194, 68.678, 77.347
Unit cell angles	116.30, 103.45, 90.12

Refinement procedure

Resolution	30.560 - 1.560
R-factor	0.1638
Rwork	0.163
R-free	0.17910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5xwf
RMSD bond length	0.008
RMSD bond angle	1.134
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.560	1.616
High resolution limit [Å]	1.560	1.560
Number of reflections	131773	12911
<I/σ(I)>	13.74	2.9
Completeness [%]	95.9	94.12
Redundancy	15

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293.15	8% (w/v) PEG 4000, 100 mM Sodium acetate pH 4.6