2WO9

MMP12 complex with a beta hydroxy carboxylic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX14.1
Synchrotron site	SRS
Beamline	PX14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2002-05-22
Detector	ADSC QUANTUM 4
Spacegroup name	P 1
Unit cell lengths	46.352, 65.291, 69.356
Unit cell angles	66.15, 83.84, 71.38

Refinement procedure

Resolution	19.880 - 1.700
R-factor	0.17449
Rwork	0.172
R-free	0.21754
Structure solution method	OTHER
Starting model (for MR)	NONE
RMSD bond length	0.014
RMSD bond angle	1.416
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.4.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.050	0.270
Number of reflections	62267
<I/σ(I)>	13.9	2.7
Completeness [%]	81.2	50.8
Redundancy	1.87	1.85

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.2		100MM MES PH5.2-5.6, 16-20% PEG, 5KMME, 200MM AMMONIUM SULPHATE