1ZVX

Crystal structure of the complex between MMP-8 and a phosphonate inhibitor (R-enantiomer)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	100
Detector technology	CCD
Collection date	2004-01-28
Detector	MARRESEARCH
Wavelength(s)	0.8042
Spacegroup name	P 21 21 21
Unit cell lengths	32.706, 54.754, 68.413
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.870
R-factor	0.209
Rwork	0.208
R-free	0.24400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1i76
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.940
High resolution limit [Å]	1.870	1.870
Rmerge	0.075	0.304
Number of reflections	10210
<I/σ(I)>	13	2.9
Completeness [%]	95.0	88.1
Redundancy	3.5	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	291	PEG6000, MES/NaOH, NaCl, CaCl2, ZnCl2, NaPhosphate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 291.0K