4JRW

Crystal structure of Clostridium histolyticum colg collagenase PKD domain 2 at 1.6 Angstrom resolution

Replaces:  3JS7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	113
Detector technology	CCD
Collection date	2008-04-05
Detector	RIGAKU SATURN 92
Wavelength(s)	1.5478
Spacegroup name	P 21 21 21
Unit cell lengths	44.950, 48.992, 70.858
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.900 - 1.600
R-factor	0.1782
Rwork	0.176
R-free	0.20951
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2c4x
RMSD bond length	0.024
RMSD bond angle	2.042
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.900	33.100	1.690
High resolution limit [Å]	1.600	2.740	1.580
Number of reflections	39884
<I/σ(I)>	30.9
Completeness [%]	99.9	99.85	99.8
Redundancy	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	277	MPD, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
1	VAPOR DIFFUSION, HANGING DROP	5.5	277	MPD, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K